(E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol

C19H38O — CID 6857772

IUPAC(E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol
SMILESC/C(=C\CO)CC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C19H38O/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-19(5)14-15-20/h14,16-18,20H,6-13,15H2,1-5H3/b19-14+/t17-,18-/m1/s1
InChIKeyVNYGDSNUPVEJKI-IWBCJCCCSA-N
MW282.51 g/mol
LogP5.97
Rot. Bonds12

About (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol

(E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol (PubChem CID 6857772) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol.

Molecular Properties

Compound Name(E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol
PubChem CID6857772
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name(E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol
SMILESC/C(=C\CO)CC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C19H38O/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-19(5)14-15-20/h14,16-18,20H,6-13,15H2,1-5H3/b19-14+/t17-,18-/m1/s1
InChIKeyVNYGDSNUPVEJKI-IWBCJCCCSA-N
XLogP5.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 55.97
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

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Phytol, (Z)-
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(Z)-Lanceol
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CID 170398
Glycinoprenol 11
CID 131752393
Glycinoprenol 9
CID 131752395
Glycinoprenol 10
CID 14380586
(1R,4E,7R,10E)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 155536387

Frequently Asked Questions

What is the IUPAC name of (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol?
The IUPAC name of (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol (CID 6857772) is (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol.
What is the SMILES notation for (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol?
The canonical SMILES for (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol is C/C(=C\CO)CC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol?
The InChIKey is VNYGDSNUPVEJKI-IWBCJCCCSA-N. The full InChI is InChI=1S/C19H38O/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-19(5)14-15-20/h14,16-18,20H,6-13,15H2,1-5H3/b19-14+/t17-,18-/m1/s1.
What are the key properties of (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol?
(E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol has a molecular weight of 282.51 g/mol, XLogP of 5.97, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol is sourced from PubChem (CID 6857772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).