2,3,7-trimethyloct-7-en-4-ol

C11H22O — CID 115834419

IUPAC2,3,7-trimethyloct-7-en-4-ol
SMILESC=C(C)CCC(O)C(C)C(C)C
InChIInChI=1S/C11H22O/c1-8(2)6-7-11(12)10(5)9(3)4/h9-12H,1,6-7H2,2-5H3
InChIKeyVXKUFWNKURHRCT-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.00
Rot. Bonds5

About 2,3,7-trimethyloct-7-en-4-ol

2,3,7-trimethyloct-7-en-4-ol (PubChem CID 115834419) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,3,7-trimethyloct-7-en-4-ol.

Molecular Properties

Compound Name2,3,7-trimethyloct-7-en-4-ol
PubChem CID115834419
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,3,7-trimethyloct-7-en-4-ol
SMILESC=C(C)CCC(O)C(C)C(C)C
InChIInChI=1S/C11H22O/c1-8(2)6-7-11(12)10(5)9(3)4/h9-12H,1,6-7H2,2-5H3
InChIKeyVXKUFWNKURHRCT-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.00
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

(3R)-2,7-dimethyloct-7-en-3-ol
CID 124511716
2,7-dimethyloct-7-en-3-ol
CID 79185633
2,5-dimethylhex-5-ene-1,1-diol
CID 88503199
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
2,3,10-trimethylundecan-4-ol
CID 156689827
5-methyl-N-prop-1-en-2-ylhex-5-en-2-amine
CID 143351976
2,3-dimethylundecan-4-ol
CID 115783082
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
(5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol
CID 10888913
2-(3-methylbut-3-enyl)propane-1,3-diol
CID 140988004
4,7-dimethyloct-7-en-2-ylphosphane
CID 123656905

Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyloct-7-en-4-ol?
The IUPAC name of 2,3,7-trimethyloct-7-en-4-ol (CID 115834419) is 2,3,7-trimethyloct-7-en-4-ol.
What is the SMILES notation for 2,3,7-trimethyloct-7-en-4-ol?
The canonical SMILES for 2,3,7-trimethyloct-7-en-4-ol is C=C(C)CCC(O)C(C)C(C)C.
What is the InChIKey of 2,3,7-trimethyloct-7-en-4-ol?
The InChIKey is VXKUFWNKURHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)6-7-11(12)10(5)9(3)4/h9-12H,1,6-7H2,2-5H3.
What are the key properties of 2,3,7-trimethyloct-7-en-4-ol?
2,3,7-trimethyloct-7-en-4-ol has a molecular weight of 170.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyloct-7-en-4-ol is sourced from PubChem (CID 115834419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).