(E,3R)-2,2-dimethylheptadec-7-en-3-ol

C19H38O — CID 176767686

IUPAC(E,3R)-2,2-dimethylheptadec-7-en-3-ol
SMILESCCCCCCCCC/C=C/CCC[C@@H](O)C(C)(C)C
InChIInChI=1S/C19H38O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(2,3)4/h13-14,18,20H,5-12,15-17H2,1-4H3/b14-13+/t18-/m1/s1
InChIKeyCYKWZFVOXMDPNK-KAUXGEHWSA-N
MW282.51 g/mol
LogP6.26
Rot. Bonds12

About (E,3R)-2,2-dimethylheptadec-7-en-3-ol

(E,3R)-2,2-dimethylheptadec-7-en-3-ol (PubChem CID 176767686) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is (E,3R)-2,2-dimethylheptadec-7-en-3-ol.

Molecular Properties

Compound Name(E,3R)-2,2-dimethylheptadec-7-en-3-ol
PubChem CID176767686
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name(E,3R)-2,2-dimethylheptadec-7-en-3-ol
SMILESCCCCCCCCC/C=C/CCC[C@@H](O)C(C)(C)C
InChIInChI=1S/C19H38O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(2,3)4/h13-14,18,20H,5-12,15-17H2,1-4H3/b14-13+/t18-/m1/s1
InChIKeyCYKWZFVOXMDPNK-KAUXGEHWSA-N
XLogP6.26
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 ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 15730850
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CID 87651448
11-methylheptadec-6-ene
CID 91113943
octacos-21-en-10-ol
CID 163011476
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
azane;(9Z,29Z)-19-tert-butyloctatriaconta-9,29-diene
CID 175292627
icos-9-en-2-ol
CID 91416664
(E)-dodec-5-en-2-ol
CID 10511710
tetracos-5-en-2-ol
CID 173208999
(Z)-henicos-12-en-2-ol
CID 141141779
heptadec-9-en-2-ol
CID 54154410
2,2,11,11-tetramethyldodecane-3,10-diol
CID 86054845

Frequently Asked Questions

What is the IUPAC name of (E,3R)-2,2-dimethylheptadec-7-en-3-ol?
The IUPAC name of (E,3R)-2,2-dimethylheptadec-7-en-3-ol (CID 176767686) is (E,3R)-2,2-dimethylheptadec-7-en-3-ol.
What is the SMILES notation for (E,3R)-2,2-dimethylheptadec-7-en-3-ol?
The canonical SMILES for (E,3R)-2,2-dimethylheptadec-7-en-3-ol is CCCCCCCCC/C=C/CCC[C@@H](O)C(C)(C)C.
What is the InChIKey of (E,3R)-2,2-dimethylheptadec-7-en-3-ol?
The InChIKey is CYKWZFVOXMDPNK-KAUXGEHWSA-N. The full InChI is InChI=1S/C19H38O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(2,3)4/h13-14,18,20H,5-12,15-17H2,1-4H3/b14-13+/t18-/m1/s1.
What are the key properties of (E,3R)-2,2-dimethylheptadec-7-en-3-ol?
(E,3R)-2,2-dimethylheptadec-7-en-3-ol has a molecular weight of 282.51 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-2,2-dimethylheptadec-7-en-3-ol is sourced from PubChem (CID 176767686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).