[1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol

C16H28O — CID 22096565

IUPAC[1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol
SMILESCCC1(CO)CC1CC1CC2CC2(C)C1(C)C
InChIInChI=1S/C16H28O/c1-5-16(10-17)9-13(16)7-11-6-12-8-15(12,4)14(11,2)3/h11-13,17H,5-10H2,1-4H3
InChIKeyXQUGVMSBKNIJSA-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.86
Rot. Bonds4

About [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol

[1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol (PubChem CID 22096565) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol
PubChem CID22096565
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name[1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol
SMILESCCC1(CO)CC1CC1CC2CC2(C)C1(C)C
InChIInChI=1S/C16H28O/c1-5-16(10-17)9-13(16)7-11-6-12-8-15(12,4)14(11,2)3/h11-13,17H,5-10H2,1-4H3
InChIKeyXQUGVMSBKNIJSA-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol with MolForge

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Related Compounds

2-methylidene-4-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]butan-1-ol
CID 164818451
3-(2-hydroxyethyl)-1,2-dimethylbicyclo[3.1.0]hexan-2-ol
CID 130145039
dimethyl 2-[2-[(1S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]ethyl]propanedioate
CID 164818449
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone
CID 70191080
ethanol;3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
CID 22755363
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol
CID 67403517
2-ethyl-4-[(1S,3R,5R)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl]pent-4-en-1-ol
CID 89370691
3-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)butan-2-one
CID 20658904
3-ethyl-1,6,6-trimethylbicyclo[3.1.0]hexane
CID 22755364
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98874526
1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
CID 163889963
(5S)-3-(1-ethyl-3-iodo-3-methylcyclohexyl)-1,2,2-trimethylbicyclo[3.1.0]hexane
CID 90206723

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol (CID 22096565) is [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol is CCC1(CO)CC1CC1CC2CC2(C)C1(C)C.
What is the InChIKey of [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol?
The InChIKey is XQUGVMSBKNIJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-5-16(10-17)9-13(16)7-11-6-12-8-15(12,4)14(11,2)3/h11-13,17H,5-10H2,1-4H3.
What are the key properties of [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol?
[1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol has a molecular weight of 236.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 22096565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).