(3S)-4-propan-2-ylhept-6-en-3-ol

C10H20O — CID 59039473

IUPAC(3S)-4-propan-2-ylhept-6-en-3-ol
SMILESC=CCC(C(C)C)[C@@H](O)CC
InChIInChI=1S/C10H20O/c1-5-7-9(8(3)4)10(11)6-2/h5,8-11H,1,6-7H2,2-4H3/t9?,10-/m0/s1
InChIKeyZJZSNDJEVDUYDU-AXDSSHIGSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds5

About (3S)-4-propan-2-ylhept-6-en-3-ol

(3S)-4-propan-2-ylhept-6-en-3-ol (PubChem CID 59039473) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3S)-4-propan-2-ylhept-6-en-3-ol.

Molecular Properties

Compound Name(3S)-4-propan-2-ylhept-6-en-3-ol
PubChem CID59039473
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3S)-4-propan-2-ylhept-6-en-3-ol
SMILESC=CCC(C(C)C)[C@@H](O)CC
InChIInChI=1S/C10H20O/c1-5-7-9(8(3)4)10(11)6-2/h5,8-11H,1,6-7H2,2-4H3/t9?,10-/m0/s1
InChIKeyZJZSNDJEVDUYDU-AXDSSHIGSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
CID 157073054
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 59911359
methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 160589694
(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
(4R)-5-methylidenehept-1-en-4-ol
CID 130622308
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
azane;pent-4-en-2-ol
CID 22149561

Frequently Asked Questions

What is the IUPAC name of (3S)-4-propan-2-ylhept-6-en-3-ol?
The IUPAC name of (3S)-4-propan-2-ylhept-6-en-3-ol (CID 59039473) is (3S)-4-propan-2-ylhept-6-en-3-ol.
What is the SMILES notation for (3S)-4-propan-2-ylhept-6-en-3-ol?
The canonical SMILES for (3S)-4-propan-2-ylhept-6-en-3-ol is C=CCC(C(C)C)[C@@H](O)CC.
What is the InChIKey of (3S)-4-propan-2-ylhept-6-en-3-ol?
The InChIKey is ZJZSNDJEVDUYDU-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-9(8(3)4)10(11)6-2/h5,8-11H,1,6-7H2,2-4H3/t9?,10-/m0/s1.
What are the key properties of (3S)-4-propan-2-ylhept-6-en-3-ol?
(3S)-4-propan-2-ylhept-6-en-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-propan-2-ylhept-6-en-3-ol is sourced from PubChem (CID 59039473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).