2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol

C14H24O — CID 164818451

IUPAC2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol
SMILESC=C(CO)CCC1CC2C[C@]2(C)C1(C)C
InChIInChI=1S/C14H24O/c1-10(9-15)5-6-11-7-12-8-14(12,4)13(11,2)3/h11-12,15H,1,5-9H2,2-4H3/t11?,12?,14-/m0/s1
InChIKeySAILDHLALNBJBQ-YIZWMMSDSA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds4

About 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol

2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol (PubChem CID 164818451) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol.

Molecular Properties

Compound Name2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol
PubChem CID164818451
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol
SMILESC=C(CO)CCC1CC2C[C@]2(C)C1(C)C
InChIInChI=1S/C14H24O/c1-10(9-15)5-6-11-7-12-8-14(12,4)13(11,2)3/h11-12,15H,1,5-9H2,2-4H3/t11?,12?,14-/m0/s1
InChIKeySAILDHLALNBJBQ-YIZWMMSDSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol with MolForge

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Related Compounds

3-(2-hydroxyethyl)-1,2-dimethylbicyclo[3.1.0]hexan-2-ol
CID 130145039
ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
CID 155737332
dimethyl 2-[2-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]ethyl]propanedioate
CID 164818449
[1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol
CID 22096565
2-ethyl-4-[(1S,3R,5R)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]pent-4-en-1-ol
CID 89370691
2-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-enal
CID 130035325
1-methyl-2-(3-methylidenepentyl)-1-propylcyclopropane
CID 143264117
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone
CID 70191080
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol
CID 67403517
2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane
CID 162349015
1-methyl-4-[2-[3-[1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)propan-2-yloxy]propoxy]ethyl]bicyclo[4.1.0]heptane
CID 143428416
ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
CID 22755363

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol?
The IUPAC name of 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol (CID 164818451) is 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol.
What is the SMILES notation for 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol?
The canonical SMILES for 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol is C=C(CO)CCC1CC2C[C@]2(C)C1(C)C.
What is the InChIKey of 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol?
The InChIKey is SAILDHLALNBJBQ-YIZWMMSDSA-N. The full InChI is InChI=1S/C14H24O/c1-10(9-15)5-6-11-7-12-8-14(12,4)13(11,2)3/h11-12,15H,1,5-9H2,2-4H3/t11?,12?,14-/m0/s1.
What are the key properties of 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol?
2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol is sourced from PubChem (CID 164818451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).