(3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol

C11H20O — CID 11105762

IUPAC(3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol
SMILESC=C(CO)[C@@H](C)CCC=C(C)C
InChIInChI=1S/C11H20O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,10,12H,4-5,7-8H2,1-3H3/t10-/m0/s1
InChIKeyQGRLZQDPVRYSKI-JTQLQIEISA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds5

About (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol

(3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol (PubChem CID 11105762) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol.

Molecular Properties

Compound Name(3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol
PubChem CID11105762
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol
SMILESC=C(CO)[C@@H](C)CCC=C(C)C
InChIInChI=1S/C11H20O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,10,12H,4-5,7-8H2,1-3H3/t10-/m0/s1
InChIKeyQGRLZQDPVRYSKI-JTQLQIEISA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol?
The IUPAC name of (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol (CID 11105762) is (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol.
What is the SMILES notation for (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol?
The canonical SMILES for (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol is C=C(CO)[C@@H](C)CCC=C(C)C.
What is the InChIKey of (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol?
The InChIKey is QGRLZQDPVRYSKI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,10,12H,4-5,7-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol?
(3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,7-dimethyl-2-methylideneoct-6-en-1-ol is sourced from PubChem (CID 11105762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).