(5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol

C16H30O2 — CID 138474293

IUPAC(5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol
SMILESCC(CCCO)[C@@H](C)CC[C@@H](C)C1C=CCCO1
InChIInChI=1S/C16H30O2/c1-13(7-6-11-17)14(2)9-10-15(3)16-8-4-5-12-18-16/h4,8,13-17H,5-7,9-12H2,1-3H3/t13?,14-,15+,16?/m0/s1
InChIKeyAGJPFBRXVLZUBH-PWUWZPNHSA-N
MW254.41 g/mol
LogP3.79
Rot. Bonds8

About (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol

(5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol (PubChem CID 138474293) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol.

Molecular Properties

Compound Name(5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol
PubChem CID138474293
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol
SMILESCC(CCCO)[C@@H](C)CC[C@@H](C)C1C=CCCO1
InChIInChI=1S/C16H30O2/c1-13(7-6-11-17)14(2)9-10-15(3)16-8-4-5-12-18-16/h4,8,13-17H,5-7,9-12H2,1-3H3/t13?,14-,15+,16?/m0/s1
InChIKeyAGJPFBRXVLZUBH-PWUWZPNHSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol?
The IUPAC name of (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol (CID 138474293) is (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol.
What is the SMILES notation for (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol?
The canonical SMILES for (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol is CC(CCCO)[C@@H](C)CC[C@@H](C)C1C=CCCO1.
What is the InChIKey of (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol?
The InChIKey is AGJPFBRXVLZUBH-PWUWZPNHSA-N. The full InChI is InChI=1S/C16H30O2/c1-13(7-6-11-17)14(2)9-10-15(3)16-8-4-5-12-18-16/h4,8,13-17H,5-7,9-12H2,1-3H3/t13?,14-,15+,16?/m0/s1.
What are the key properties of (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol?
(5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol has a molecular weight of 254.41 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol is sourced from PubChem (CID 138474293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).