[(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol

C17H28O — CID 88981977

IUPAC[(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol
SMILESC=C1CCC2C1CCC(C1CCCCC1)[C@H]2CO
InChIInChI=1S/C17H28O/c1-12-7-8-16-14(12)9-10-15(17(16)11-18)13-5-3-2-4-6-13/h13-18H,1-11H2/t14?,15?,16?,17-/m1/s1
InChIKeyADXINRFRFHLWTJ-VKFIQFPUSA-N
MW248.41 g/mol
LogP4.17
Rot. Bonds2

About [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol

[(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol (PubChem CID 88981977) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol
PubChem CID88981977
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name[(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol
SMILESC=C1CCC2C1CCC(C1CCCCC1)[C@H]2CO
InChIInChI=1S/C17H28O/c1-12-7-8-16-14(12)9-10-15(17(16)11-18)13-5-3-2-4-6-13/h13-18H,1-11H2/t14?,15?,16?,17-/m1/s1
InChIKeyADXINRFRFHLWTJ-VKFIQFPUSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol?
The IUPAC name of [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol (CID 88981977) is [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol.
What is the SMILES notation for [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol?
The canonical SMILES for [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol is C=C1CCC2C1CCC(C1CCCCC1)[C@H]2CO.
What is the InChIKey of [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol?
The InChIKey is ADXINRFRFHLWTJ-VKFIQFPUSA-N. The full InChI is InChI=1S/C17H28O/c1-12-7-8-16-14(12)9-10-15(17(16)11-18)13-5-3-2-4-6-13/h13-18H,1-11H2/t14?,15?,16?,17-/m1/s1.
What are the key properties of [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol?
[(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol has a molecular weight of 248.41 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5-cyclohexyl-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methanol is sourced from PubChem (CID 88981977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).