3,3,4,5,7-pentamethyl-6-propan-2-ylnonane

C17H36 — CID 91511171

IUPAC3,3,4,5,7-pentamethyl-6-propan-2-ylnonane
SMILESCCC(C)C(C(C)C)C(C)C(C)C(C)(C)CC
InChIInChI=1S/C17H36/c1-10-13(5)16(12(3)4)14(6)15(7)17(8,9)11-2/h12-16H,10-11H2,1-9H3
InChIKeyQRYRDIWKHSGVGB-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.01
Rot. Bonds7

About 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane

3,3,4,5,7-pentamethyl-6-propan-2-ylnonane (PubChem CID 91511171) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane.

Molecular Properties

Compound Name3,3,4,5,7-pentamethyl-6-propan-2-ylnonane
PubChem CID91511171
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,3,4,5,7-pentamethyl-6-propan-2-ylnonane
SMILESCCC(C)C(C(C)C)C(C)C(C)C(C)(C)CC
InChIInChI=1S/C17H36/c1-10-13(5)16(12(3)4)14(6)15(7)17(8,9)11-2/h12-16H,10-11H2,1-9H3
InChIKeyQRYRDIWKHSGVGB-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,5,6,7,7-hexamethylnonane
CID 123984490
2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
CID 123540393
2,2,3,4,5-pentamethylheptane
CID 53428630
2,3,5,5,6,7-hexamethylnonane
CID 91311352
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane
CID 159937980
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037
ethane;3,4,5,6,7,8,8,9,10,11,12,13,14-tridecamethylhexadecane
CID 159389585
6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane
CID 123138590
3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene
CID 123750828
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane?
The IUPAC name of 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane (CID 91511171) is 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane.
What is the SMILES notation for 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane?
The canonical SMILES for 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane is CCC(C)C(C(C)C)C(C)C(C)C(C)(C)CC.
What is the InChIKey of 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane?
The InChIKey is QRYRDIWKHSGVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-10-13(5)16(12(3)4)14(6)15(7)17(8,9)11-2/h12-16H,10-11H2,1-9H3.
What are the key properties of 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane?
3,3,4,5,7-pentamethyl-6-propan-2-ylnonane has a molecular weight of 240.47 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,7-pentamethyl-6-propan-2-ylnonane is sourced from PubChem (CID 91511171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).