pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol

C76H178O11 — CID 158783956

IUPACpentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol
SMILESC.C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CCC(O)C(C)C.CCC(O)CC(C)C.CC[C@@H](O)C(C)C.CC[C@@H](O)CC(C)C.CC[C@H](O)C(C)C.CC[C@H](O)CC(C)C
InChIInChI=1S/8C7H16O.3C6H14O.2CH4/c5*1-5(2)7(8)6(3)4;3*1-4-7(8)5-6(2)3;3*1-4-6(7)5(2)3;;/h5*5-8H,1-4H3;3*6-8H,4-5H2,1-3H3;3*5-7H,4H2,1-3H3;2*1H4/t;;;;;2*7-;;2*6-;;;/m.....10.10.../s1
InChIKeyIRLBORRZZAODKQ-DHJHBRRNSA-N
MW1268.25 g/mol
LogP19.22
Rot. Bonds25

About pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol

pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol (PubChem CID 158783956) has the molecular formula C76H178O11 and a molecular weight of 1268.25 g/mol. Its IUPAC name is pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol.

Molecular Properties

Compound Namepentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol
PubChem CID158783956
Molecular FormulaC76H178O11
Molecular Weight1268.25 g/mol
Exact Mass1267.34
IUPAC Namepentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol
SMILESC.C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CCC(O)C(C)C.CCC(O)CC(C)C.CC[C@@H](O)C(C)C.CC[C@@H](O)CC(C)C.CC[C@H](O)C(C)C.CC[C@H](O)CC(C)C
InChIInChI=1S/8C7H16O.3C6H14O.2CH4/c5*1-5(2)7(8)6(3)4;3*1-4-7(8)5-6(2)3;3*1-4-6(7)5(2)3;;/h5*5-8H,1-4H3;3*6-8H,4-5H2,1-3H3;3*5-7H,4H2,1-3H3;2*1H4/t;;;;;2*7-;;2*6-;;;/m.....10.10.../s1
InChIKeyIRLBORRZZAODKQ-DHJHBRRNSA-N
XLogP19.22
TPSA222.53 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001268.25
LogP ≤ 519.22
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol with MolForge

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Related Compounds

(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
(3R,5R)-2,7-dimethyloctane-3,5-diol
CID 14895751
8-methylnonane-3,4,5,6-tetrol
CID 88909679
(3R,5R)-heptane-3,5-diol
CID 12641368
carbanide;hexane-2,4-diol;yttrium
CID 59749638
(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449
(3S,4S,6R)-2,7-dimethyloctane-3,4,6-triol
CID 46849978
(3S,4S,5R,6S,7S)-2,4,6-trimethylnonane-3,5,7-triol
CID 101070481
(3R,5S)-5-amino-6-methylheptan-3-ol
CID 53487701
butan-2-ol;methane;pentan-3-ol
CID 160881005
hexane-2,4-diol;yttrium
CID 59978331

Frequently Asked Questions

What is the IUPAC name of pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol?
The IUPAC name of pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol (CID 158783956) is pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol.
What is the SMILES notation for pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol?
The canonical SMILES for pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol is C.C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CC(C)C(O)C(C)C.CCC(O)C(C)C.CCC(O)CC(C)C.CC[C@@H](O)C(C)C.CC[C@@H](O)CC(C)C.CC[C@H](O)C(C)C.CC[C@H](O)CC(C)C.
What is the InChIKey of pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol?
The InChIKey is IRLBORRZZAODKQ-DHJHBRRNSA-N. The full InChI is InChI=1S/8C7H16O.3C6H14O.2CH4/c5*1-5(2)7(8)6(3)4;3*1-4-7(8)5-6(2)3;3*1-4-6(7)5(2)3;;/h5*5-8H,1-4H3;3*6-8H,4-5H2,1-3H3;3*5-7H,4H2,1-3H3;2*1H4/t;;;;;2*7-;;2*6-;;;/m.....10.10.../s1.
What are the key properties of pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol?
pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol has a molecular weight of 1268.25 g/mol, XLogP of 19.22, 25 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2,4-dimethylpentan-3-ol);methane;(3R)-5-methylhexan-3-ol;(3S)-5-methylhexan-3-ol;5-methylhexan-3-ol;2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;(3S)-2-methylpentan-3-ol is sourced from PubChem (CID 158783956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).