(2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol

C12H22O — CID 154720515

IUPAC(2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol
SMILESC/C=C/[C@](C)(CO)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-8-12(4,10-13)9-6-7-11(2)3/h5,7-8,13H,6,9-10H2,1-4H3/b8-5+/t12-/m0/s1
InChIKeyZRIRBUCHNQRDID-ZCRIDZFUSA-N
MW182.31 g/mol
LogP3.31
Rot. Bonds5

About (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol

(2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol (PubChem CID 154720515) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol.

Molecular Properties

Compound Name(2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol
PubChem CID154720515
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol
SMILESC/C=C/[C@](C)(CO)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-8-12(4,10-13)9-6-7-11(2)3/h5,7-8,13H,6,9-10H2,1-4H3/b8-5+/t12-/m0/s1
InChIKeyZRIRBUCHNQRDID-ZCRIDZFUSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.31
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

2,6-Dimethyl-5-hepten-1-ol
CID 240230
Chrysanthemol
CID 110685
(R,R)-chrysanthemol
CID 2724508
(5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol
CID 6364638
2,6,10-Trimethylundeca-5,9-dienol
CID 91116
Chrysanthemol, cis-
CID 6993676
Chrysanthemol, trans-
CID 6993677
2-Ethenyl-2,5-dimethylhex-4-en-1-ol
CID 549543
2,2-Dimethylhex-5-en-1-ol
CID 10240821
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
CID 174409
2-Ethyl-2-prenyl-3-hexenol
CID 174410
3-Hexen-1-ol, 2-ethyl-2-(3-methyl-2-butenyl)-
CID 6441969

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol?
The IUPAC name of (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol (CID 154720515) is (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol.
What is the SMILES notation for (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol?
The canonical SMILES for (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol is C/C=C/[C@](C)(CO)CCC=C(C)C.
What is the InChIKey of (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol?
The InChIKey is ZRIRBUCHNQRDID-ZCRIDZFUSA-N. The full InChI is InChI=1S/C12H22O/c1-5-8-12(4,10-13)9-6-7-11(2)3/h5,7-8,13H,6,9-10H2,1-4H3/b8-5+/t12-/m0/s1.
What are the key properties of (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol?
(2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-dimethyl-2-[(E)-prop-1-enyl]hept-5-en-1-ol is sourced from PubChem (CID 154720515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).