(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol

C16H30O — CID 10105646

IUPAC(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
SMILESC=C[C@](C)(CCC=C(C)C)[C@H](O)CCCCC
InChIInChI=1S/C16H30O/c1-6-8-9-12-15(17)16(5,7-2)13-10-11-14(3)4/h7,11,15,17H,2,6,8-10,12-13H2,1,3-5H3/t15-,16-/m1/s1
InChIKeyXFWKJTQUXVRSCM-HZPDHXFCSA-N
MW238.41 g/mol
LogP4.87
Rot. Bonds9

About (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol

(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol (PubChem CID 10105646) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol.

Molecular Properties

Compound Name(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
PubChem CID10105646
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
SMILESC=C[C@](C)(CCC=C(C)C)[C@H](O)CCCCC
InChIInChI=1S/C16H30O/c1-6-8-9-12-15(17)16(5,7-2)13-10-11-14(3)4/h7,11,15,17H,2,6,8-10,12-13H2,1,3-5H3/t15-,16-/m1/s1
InChIKeyXFWKJTQUXVRSCM-HZPDHXFCSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.87
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

(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol
CID 100923980
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
tris(5-ethenyl-5,9-dimethyldec-8-en-4-yl) borate
CID 88759043
3-ethenyl-2-ethyl-3,7-dimethyloct-6-enoic acid
CID 14910872
(7R,8S)-2-methyloctadec-2-ene-7,8-diol
CID 13420628
(3R)-2,9-dimethyldec-8-ene-2,3-diol
CID 134855668
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
CID 12809100
2-ethenyl-1-[4-(1-hydroxy-2,2-dimethylbut-3-enyl)phenyl]-2,6-dimethylhept-5-en-1-ol
CID 11336827
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987
5-ethenyl-2-methyldodec-2-ene
CID 134980281
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol?
The IUPAC name of (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol (CID 10105646) is (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol.
What is the SMILES notation for (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol?
The canonical SMILES for (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol is C=C[C@](C)(CCC=C(C)C)[C@H](O)CCCCC.
What is the InChIKey of (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol?
The InChIKey is XFWKJTQUXVRSCM-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H30O/c1-6-8-9-12-15(17)16(5,7-2)13-10-11-14(3)4/h7,11,15,17H,2,6,8-10,12-13H2,1,3-5H3/t15-,16-/m1/s1.
What are the key properties of (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol?
(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol has a molecular weight of 238.41 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol is sourced from PubChem (CID 10105646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).