6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol

C14H26O — CID 10536454

IUPAC6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol
SMILESC=C(C)C(CCO)(CCC(C)C)C(=C)C
InChIInChI=1S/C14H26O/c1-11(2)7-8-14(9-10-15,12(3)4)13(5)6/h11,15H,3,5,7-10H2,1-2,4,6H3
InChIKeyDIYWSBOSZICDIB-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.94
Rot. Bonds7

About 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol

6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol (PubChem CID 10536454) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol.

Molecular Properties

Compound Name6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol
PubChem CID10536454
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol
SMILESC=C(C)C(CCO)(CCC(C)C)C(=C)C
InChIInChI=1S/C14H26O/c1-11(2)7-8-14(9-10-15,12(3)4)13(5)6/h11,15H,3,5,7-10H2,1-2,4,6H3
InChIKeyDIYWSBOSZICDIB-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.94
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

3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
Grandisol
CID 169202
2,6-Dimethyl-6-hepten-1-ol
CID 169818
(4-(Prop-1-en-2-yl)cyclohexyl)methanol
CID 519954
6-Ethyl-3-methyloct-6-en-1-ol
CID 117306
3,5,6,6-Tetramethyl-4-methyleneheptan-2-ol
CID 21909238
p-Menth-1(7)-en-9-ol
CID 564610
Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, (1R-cis)-
CID 6432285
Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, (1R,2S)-rel-
CID 117314
[(1R,4S,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undecanyl]methanol
CID 10036514
3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-
CID 73556761

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol?
The IUPAC name of 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol (CID 10536454) is 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol.
What is the SMILES notation for 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol?
The canonical SMILES for 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol is C=C(C)C(CCO)(CCC(C)C)C(=C)C.
What is the InChIKey of 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol?
The InChIKey is DIYWSBOSZICDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)7-8-14(9-10-15,12(3)4)13(5)6/h11,15H,3,5,7-10H2,1-2,4,6H3.
What are the key properties of 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol?
6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol is sourced from PubChem (CID 10536454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).