(3S,4R)-3,6,6-trimethylhept-1-en-4-ol

C10H20O — CID 164669218

IUPAC(3S,4R)-3,6,6-trimethylhept-1-en-4-ol
SMILESC=C[C@H](C)[C@H](O)CC(C)(C)C
InChIInChI=1S/C10H20O/c1-6-8(2)9(11)7-10(3,4)5/h6,8-9,11H,1,7H2,2-5H3/t8-,9+/m0/s1
InChIKeyRFMWFHIAVAAFEG-DTWKUNHWSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds3

About (3S,4R)-3,6,6-trimethylhept-1-en-4-ol

(3S,4R)-3,6,6-trimethylhept-1-en-4-ol (PubChem CID 164669218) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3S,4R)-3,6,6-trimethylhept-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R)-3,6,6-trimethylhept-1-en-4-ol
PubChem CID164669218
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3S,4R)-3,6,6-trimethylhept-1-en-4-ol
SMILESC=C[C@H](C)[C@H](O)CC(C)(C)C
InChIInChI=1S/C10H20O/c1-6-8(2)9(11)7-10(3,4)5/h6,8-9,11H,1,7H2,2-5H3/t8-,9+/m0/s1
InChIKeyRFMWFHIAVAAFEG-DTWKUNHWSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

(-)-Ipsenol
CID 93186
2-Methyl-6-methylene-7-octen-4-ol
CID 85712
2-Methyl-5-hexen-3-ol
CID 141746
2,2-Dimethylhex-5-en-1-ol
CID 10240821
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
CID 174409
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
2,2-Dimethyl-5-hexen-3-ol
CID 140556
5-Methyl-1-hepten-4-ol
CID 145341
5,5-Dimethyl-3-cyclohexen-1-ol
CID 546038
4-Methyl-5-hexen-3-ol
CID 12496406
4-Methyl-6-hepten-3-ol
CID 547700
Graphostromol G
CID 146682850

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,6,6-trimethylhept-1-en-4-ol?
The IUPAC name of (3S,4R)-3,6,6-trimethylhept-1-en-4-ol (CID 164669218) is (3S,4R)-3,6,6-trimethylhept-1-en-4-ol.
What is the SMILES notation for (3S,4R)-3,6,6-trimethylhept-1-en-4-ol?
The canonical SMILES for (3S,4R)-3,6,6-trimethylhept-1-en-4-ol is C=C[C@H](C)[C@H](O)CC(C)(C)C.
What is the InChIKey of (3S,4R)-3,6,6-trimethylhept-1-en-4-ol?
The InChIKey is RFMWFHIAVAAFEG-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20O/c1-6-8(2)9(11)7-10(3,4)5/h6,8-9,11H,1,7H2,2-5H3/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-3,6,6-trimethylhept-1-en-4-ol?
(3S,4R)-3,6,6-trimethylhept-1-en-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,6,6-trimethylhept-1-en-4-ol is sourced from PubChem (CID 164669218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).