[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

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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).