[(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol

C15H24O2 — CID 10399234

IUPAC[(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol
SMILESCC1(C)C[C@H]2C=C(CO)[C@]3(CO)C[C@]3(C)[C@H]2C1
InChIInChI=1S/C15H24O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,10,12,16-17H,5-9H2,1-3H3/t10-,12+,14-,15-/m1/s1
InChIKeyPXOZBWDPKXNHFQ-DZGBDDFRSA-N
MW236.35 g/mol
LogP2.36
Rot. Bonds2

About [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol

[(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol (PubChem CID 10399234) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol.

Molecular Properties

Compound Name[(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol
PubChem CID10399234
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol
SMILESCC1(C)C[C@H]2C=C(CO)[C@]3(CO)C[C@]3(C)[C@H]2C1
InChIInChI=1S/C15H24O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,10,12,16-17H,5-9H2,1-3H3/t10-,12+,14-,15-/m1/s1
InChIKeyPXOZBWDPKXNHFQ-DZGBDDFRSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol with MolForge

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Related Compounds

7,9-Illudadiene-3,14-diol
CID 91752244
(1R,3aR,5S,8aS)-6-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol
CID 46211176
(+)-3-Gymnomitren-15-ol
CID 91752517
Schisanwilsonene A
CID 42638973
(2S,3aR,4S)-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3,3a,4-tetrahydroindene-6,1'-cyclopropane]-4-ol
CID 45380084
Illudane
CID 11770397
{7,7-Dimethylbicyclo[4.1.0]hept-3-en-3-yl}methanol
CID 9877427
(1S,4S,5S,9R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-ol
CID 10331156
2,7(14)-Illudadiene-10,15-diol
CID 131752467
[(1S,6R)-7,7-dimethylbicyclo[4.1.0]hept-3-en-3-yl]methanol
CID 129775894
(2S,3aS,4R)-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3,3a,4-tetrahydroindene-6,1'-cyclopropane]-4-ol
CID 49798954
(3a(2)aS,4a(2)R)-2a(2),3a(2),3a(2)a,4a(2)-Tetrahydro-4a(2)-hydroxy-2a(2),2a(2),4a(2)-trimethylspiro[cyclopropane-1,5a(2)-[5H]indene]-6a(2)-methanol
CID 127038498

Frequently Asked Questions

What is the IUPAC name of [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol?
The IUPAC name of [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol (CID 10399234) is [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol.
What is the SMILES notation for [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol?
The canonical SMILES for [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol is CC1(C)C[C@H]2C=C(CO)[C@]3(CO)C[C@]3(C)[C@H]2C1.
What is the InChIKey of [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol?
The InChIKey is PXOZBWDPKXNHFQ-DZGBDDFRSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,10,12,16-17H,5-9H2,1-3H3/t10-,12+,14-,15-/m1/s1.
What are the key properties of [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol?
[(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol has a molecular weight of 236.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1aS,3aS,6aS,6bR)-1a-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]inden-2-yl]methanol is sourced from PubChem (CID 10399234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).