2-propan-2-ylheptane-1,3,4,5-tetrol

C10H22O4 — CID 118683322

IUPAC2-propan-2-ylheptane-1,3,4,5-tetrol
SMILESCCC(O)C(O)C(O)C(CO)C(C)C
InChIInChI=1S/C10H22O4/c1-4-8(12)10(14)9(13)7(5-11)6(2)3/h6-14H,4-5H2,1-3H3
InChIKeyAHBLZFIRKPBEHK-UHFFFAOYSA-N
MW206.28 g/mol
LogP-0.26
Rot. Bonds6

About 2-propan-2-ylheptane-1,3,4,5-tetrol

2-propan-2-ylheptane-1,3,4,5-tetrol (PubChem CID 118683322) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-propan-2-ylheptane-1,3,4,5-tetrol.

Molecular Properties

Compound Name2-propan-2-ylheptane-1,3,4,5-tetrol
PubChem CID118683322
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name2-propan-2-ylheptane-1,3,4,5-tetrol
SMILESCCC(O)C(O)C(O)C(CO)C(C)C
InChIInChI=1S/C10H22O4/c1-4-8(12)10(14)9(13)7(5-11)6(2)3/h6-14H,4-5H2,1-3H3
InChIKeyAHBLZFIRKPBEHK-UHFFFAOYSA-N
XLogP-0.26
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
2-ethyl-4-propan-2-ylpentane-1,3,5-triol
CID 118683289
8-methylnonane-3,4,5,6-tetrol
CID 88909679
(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
CID 15101929
(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
CID 118099468
(2S,3R)-3-propan-2-ylbutane-1,2,4-triol
CID 10558771
2-(hydroxymethyl)pentane-1,1,3-triol
CID 174486328
(2S,3S,4R)-hexane-2,3,4-triol
CID 91758700
3-methylbutane-1,2-diol;propane
CID 87383548
(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
CID 158918319

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylheptane-1,3,4,5-tetrol?
The IUPAC name of 2-propan-2-ylheptane-1,3,4,5-tetrol (CID 118683322) is 2-propan-2-ylheptane-1,3,4,5-tetrol.
What is the SMILES notation for 2-propan-2-ylheptane-1,3,4,5-tetrol?
The canonical SMILES for 2-propan-2-ylheptane-1,3,4,5-tetrol is CCC(O)C(O)C(O)C(CO)C(C)C.
What is the InChIKey of 2-propan-2-ylheptane-1,3,4,5-tetrol?
The InChIKey is AHBLZFIRKPBEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-4-8(12)10(14)9(13)7(5-11)6(2)3/h6-14H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-ylheptane-1,3,4,5-tetrol?
2-propan-2-ylheptane-1,3,4,5-tetrol has a molecular weight of 206.28 g/mol, XLogP of -0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylheptane-1,3,4,5-tetrol is sourced from PubChem (CID 118683322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).