(1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol

C15H24O — CID 42608144

IUPAC(1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
SMILESC=C1CC[C@H](O)[C@@]2(C)C[C@@H]3[C@@H](C(C)C)[C@@H]3[C@@H]12
InChIInChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11+,12-,13-,14-,15-/m1/s1
InChIKeyWVVFQZGQVPKOMT-RBTXIFOQSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds1

About (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol

(1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol (PubChem CID 42608144) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol.

Molecular Properties

Compound Name(1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
PubChem CID42608144
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
SMILESC=C1CC[C@H](O)[C@@]2(C)C[C@@H]3[C@@H](C(C)C)[C@@H]3[C@@H]12
InChIInChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11+,12-,13-,14-,15-/m1/s1
InChIKeyWVVFQZGQVPKOMT-RBTXIFOQSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol?
The IUPAC name of (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol (CID 42608144) is (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol.
What is the SMILES notation for (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol?
The canonical SMILES for (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol is C=C1CC[C@H](O)[C@@]2(C)C[C@@H]3[C@@H](C(C)C)[C@@H]3[C@@H]12.
What is the InChIKey of (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol?
The InChIKey is WVVFQZGQVPKOMT-RBTXIFOQSA-N. The full InChI is InChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11+,12-,13-,14-,15-/m1/s1.
What are the key properties of (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol?
(1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol has a molecular weight of 220.36 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,1aR,1bS,5S,5aS,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol is sourced from PubChem (CID 42608144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).