[1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol

C16H28O — CID 54771444

IUPAC[1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol
SMILESCC1(CO)CC1C[C@H]1C[C@]2(C)C[C@]2(C)C1(C)C
InChIInChI=1S/C16H28O/c1-13(2)11(6-12-7-14(12,3)10-17)8-15(4)9-16(13,15)5/h11-12,17H,6-10H2,1-5H3/t11-,12?,14?,15+,16+/m0/s1
InChIKeyVKRDJTSOSVKFFZ-TYVZNMNMSA-N
MW236.40 g/mol
LogP3.86
Rot. Bonds3

About [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol

[1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol (PubChem CID 54771444) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol
PubChem CID54771444
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name[1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol
SMILESCC1(CO)CC1C[C@H]1C[C@]2(C)C[C@]2(C)C1(C)C
InChIInChI=1S/C16H28O/c1-13(2)11(6-12-7-14(12,3)10-17)8-15(4)9-16(13,15)5/h11-12,17H,6-10H2,1-5H3/t11-,12?,14?,15+,16+/m0/s1
InChIKeyVKRDJTSOSVKFFZ-TYVZNMNMSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol (CID 54771444) is [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol is CC1(CO)CC1C[C@H]1C[C@]2(C)C[C@]2(C)C1(C)C.
What is the InChIKey of [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol?
The InChIKey is VKRDJTSOSVKFFZ-TYVZNMNMSA-N. The full InChI is InChI=1S/C16H28O/c1-13(2)11(6-12-7-14(12,3)10-17)8-15(4)9-16(13,15)5/h11-12,17H,6-10H2,1-5H3/t11-,12?,14?,15+,16+/m0/s1.
What are the key properties of [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol?
[1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol has a molecular weight of 236.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[[(1S,3S,5R)-1,2,2,5-tetramethyl-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 54771444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).