2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol

C12H20O — CID 11644027

IUPAC2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol
SMILESC=C1[C@@H]2[C@H](C[C@]1(C)CCO)C2(C)C
InChIInChI=1S/C12H20O/c1-8-10-9(11(10,2)3)7-12(8,4)5-6-13/h9-10,13H,1,5-7H2,2-4H3/t9-,10+,12-/m0/s1
InChIKeyRMOIIYSJQMUMHC-UMNHJUIQSA-N
MW180.29 g/mol
LogP2.61
Rot. Bonds2

About 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol

2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol (PubChem CID 11644027) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol.

Molecular Properties

Compound Name2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol
PubChem CID11644027
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol
SMILESC=C1[C@@H]2[C@H](C[C@]1(C)CCO)C2(C)C
InChIInChI=1S/C12H20O/c1-8-10-9(11(10,2)3)7-12(8,4)5-6-13/h9-10,13H,1,5-7H2,2-4H3/t9-,10+,12-/m0/s1
InChIKeyRMOIIYSJQMUMHC-UMNHJUIQSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol with MolForge

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Related Compounds

Sabinol
CID 94147
(4-(Prop-1-en-2-yl)cyclohexyl)methanol
CID 519954
4(10)-Thujen-3-ol, (1S,3R,5S)-(+)-
CID 564260
(-)-cis-Sabinol
CID 42626427
trans-Dracunculifoliol
CID 6428328
Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1alpha,3alpha,5alpha)]-(9CI)
CID 12315160
(3R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol
CID 42626428
[(2R,3aR,7aR)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol
CID 14527122
Npc262978
CID 6429076
[(1R,3R)-2,2,3-trimethyl-4-methylidenecyclopentyl]methanol
CID 10920731
(1R,4R,5R,9R)-1-methyl-8-methylidene-4-propan-2-ylspiro[4.5]decan-9-ol
CID 145953166
[(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol
CID 162869125

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol?
The IUPAC name of 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol (CID 11644027) is 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol.
What is the SMILES notation for 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol?
The canonical SMILES for 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol is C=C1[C@@H]2[C@H](C[C@]1(C)CCO)C2(C)C.
What is the InChIKey of 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol?
The InChIKey is RMOIIYSJQMUMHC-UMNHJUIQSA-N. The full InChI is InChI=1S/C12H20O/c1-8-10-9(11(10,2)3)7-12(8,4)5-6-13/h9-10,13H,1,5-7H2,2-4H3/t9-,10+,12-/m0/s1.
What are the key properties of 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol?
2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol has a molecular weight of 180.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol is sourced from PubChem (CID 11644027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).