(E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol

C15H28O2 — CID 16726168

IUPAC(E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol
SMILESC/C(=C\[C@@H](O)C1CCCCC1)CCC[C@H](C)O
InChIInChI=1S/C15H28O2/c1-12(7-6-8-13(2)16)11-15(17)14-9-4-3-5-10-14/h11,13-17H,3-10H2,1-2H3/b12-11+/t13-,15+/m0/s1
InChIKeyXGMUOUNOLFUCJK-SJKUJVLLSA-N
MW240.39 g/mol
LogP3.42
Rot. Bonds6

About (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol

(E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol (PubChem CID 16726168) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol.

Molecular Properties

Compound Name(E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol
PubChem CID16726168
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol
SMILESC/C(=C\[C@@H](O)C1CCCCC1)CCC[C@H](C)O
InChIInChI=1S/C15H28O2/c1-12(7-6-8-13(2)16)11-15(17)14-9-4-3-5-10-14/h11,13-17H,3-10H2,1-2H3/b12-11+/t13-,15+/m0/s1
InChIKeyXGMUOUNOLFUCJK-SJKUJVLLSA-N
XLogP3.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol?
The IUPAC name of (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol (CID 16726168) is (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol.
What is the SMILES notation for (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol?
The canonical SMILES for (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol is C/C(=C\[C@@H](O)C1CCCCC1)CCC[C@H](C)O.
What is the InChIKey of (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol?
The InChIKey is XGMUOUNOLFUCJK-SJKUJVLLSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(7-6-8-13(2)16)11-15(17)14-9-4-3-5-10-14/h11,13-17H,3-10H2,1-2H3/b12-11+/t13-,15+/m0/s1.
What are the key properties of (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol?
(E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol has a molecular weight of 240.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,7S)-1-cyclohexyl-3-methyloct-2-ene-1,7-diol is sourced from PubChem (CID 16726168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).