2,3,4,5,6,7,8-heptamethylnonan-5-ol

C16H34O — CID 21344764

IUPAC2,3,4,5,6,7,8-heptamethylnonan-5-ol
SMILESCC(C)C(C)C(C)C(C)(O)C(C)C(C)C(C)C
InChIInChI=1S/C16H34O/c1-10(2)12(5)14(7)16(9,17)15(8)13(6)11(3)4/h10-15,17H,1-9H3
InChIKeySAUXHNVNNROTOM-UHFFFAOYSA-N
MW242.45 g/mol
LogP4.59
Rot. Bonds6

About 2,3,4,5,6,7,8-heptamethylnonan-5-ol

2,3,4,5,6,7,8-heptamethylnonan-5-ol (PubChem CID 21344764) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 2,3,4,5,6,7,8-heptamethylnonan-5-ol.

Molecular Properties

Compound Name2,3,4,5,6,7,8-heptamethylnonan-5-ol
PubChem CID21344764
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name2,3,4,5,6,7,8-heptamethylnonan-5-ol
SMILESCC(C)C(C)C(C)C(C)(O)C(C)C(C)C(C)C
InChIInChI=1S/C16H34O/c1-10(2)12(5)14(7)16(9,17)15(8)13(6)11(3)4/h10-15,17H,1-9H3
InChIKeySAUXHNVNNROTOM-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrolinalool
CID 6548
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
3-Methyl-3-octanol
CID 21432
2,3-Dimethyl-2-hexanol
CID 137270
3,6-Dimethyl-3-heptanol
CID 15297
4-Methyloctan-4-ol
CID 141031
3,5-Dimethyl-3-heptanol
CID 140546
5-Methyl-5-nonanol
CID 141860
2,4,6-Trimethylheptan-4-ol
CID 143748
4-Methylnonan-4-ol
CID 90924
3-Dodecanol, 3,7,11-trimethyl-
CID 23701

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8-heptamethylnonan-5-ol?
The IUPAC name of 2,3,4,5,6,7,8-heptamethylnonan-5-ol (CID 21344764) is 2,3,4,5,6,7,8-heptamethylnonan-5-ol.
What is the SMILES notation for 2,3,4,5,6,7,8-heptamethylnonan-5-ol?
The canonical SMILES for 2,3,4,5,6,7,8-heptamethylnonan-5-ol is CC(C)C(C)C(C)C(C)(O)C(C)C(C)C(C)C.
What is the InChIKey of 2,3,4,5,6,7,8-heptamethylnonan-5-ol?
The InChIKey is SAUXHNVNNROTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-10(2)12(5)14(7)16(9,17)15(8)13(6)11(3)4/h10-15,17H,1-9H3.
What are the key properties of 2,3,4,5,6,7,8-heptamethylnonan-5-ol?
2,3,4,5,6,7,8-heptamethylnonan-5-ol has a molecular weight of 242.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8-heptamethylnonan-5-ol is sourced from PubChem (CID 21344764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).