[(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol

C20H32O — CID 89275011

IUPAC[(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
SMILESC=C[C@@]1(C)CCCC2=C1CCC1[C@](C)(CO)CCC[C@@]21C
InChIInChI=1S/C20H32O/c1-5-18(2)11-6-8-16-15(18)9-10-17-19(3,14-21)12-7-13-20(16,17)4/h5,17,21H,1,6-14H2,2-4H3/t17?,18-,19-,20-/m0/s1
InChIKeyYAPRVOQMODLVAU-NIVVRJPPSA-N
MW288.47 g/mol
LogP5.26
Rot. Bonds2

About [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol

[(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol (PubChem CID 89275011) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
PubChem CID89275011
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name[(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
SMILESC=C[C@@]1(C)CCCC2=C1CCC1[C@](C)(CO)CCC[C@@]21C
InChIInChI=1S/C20H32O/c1-5-18(2)11-6-8-16-15(18)9-10-17-19(3,14-21)12-7-13-20(16,17)4/h5,17,21H,1,6-14H2,2-4H3/t17?,18-,19-,20-/m0/s1
InChIKeyYAPRVOQMODLVAU-NIVVRJPPSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.26
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 [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol?
The IUPAC name of [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol (CID 89275011) is [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol.
What is the SMILES notation for [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol?
The canonical SMILES for [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol is C=C[C@@]1(C)CCCC2=C1CCC1[C@](C)(CO)CCC[C@@]21C.
What is the InChIKey of [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol?
The InChIKey is YAPRVOQMODLVAU-NIVVRJPPSA-N. The full InChI is InChI=1S/C20H32O/c1-5-18(2)11-6-8-16-15(18)9-10-17-19(3,14-21)12-7-13-20(16,17)4/h5,17,21H,1,6-14H2,2-4H3/t17?,18-,19-,20-/m0/s1.
What are the key properties of [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol?
[(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol has a molecular weight of 288.47 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol is sourced from PubChem (CID 89275011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).