trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol

C18H26O — CID 15151944

IUPACtrans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol
SMILESCC(C)=C1CC[C@@H](C)C[C@]1(O)CCc1ccccc1
InChIInChI=1S/C18H26O/c1-14(2)17-10-9-15(3)13-18(17,19)12-11-16-7-5-4-6-8-16/h4-8,15,19H,9-13H2,1-3H3/t15-,18-/m1/s1
InChIKeyFDGFKQSBLDYYMW-CRAIPNDOSA-N
MW258.40 g/mol
LogP4.51
Rot. Bonds3

About trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol

trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol (PubChem CID 15151944) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol
PubChem CID15151944
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Nametrans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol
SMILESCC(C)=C1CC[C@@H](C)C[C@]1(O)CCc1ccccc1
InChIInChI=1S/C18H26O/c1-14(2)17-10-9-15(3)13-18(17,19)12-11-16-7-5-4-6-8-16/h4-8,15,19H,9-13H2,1-3H3/t15-,18-/m1/s1
InChIKeyFDGFKQSBLDYYMW-CRAIPNDOSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol?
The IUPAC name of trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol (CID 15151944) is trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol.
What is the SMILES notation for trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol?
The canonical SMILES for trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol is CC(C)=C1CC[C@@H](C)C[C@]1(O)CCc1ccccc1.
What is the InChIKey of trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol?
The InChIKey is FDGFKQSBLDYYMW-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H26O/c1-14(2)17-10-9-15(3)13-18(17,19)12-11-16-7-5-4-6-8-16/h4-8,15,19H,9-13H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol?
trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-5-methyl-1-(2-phenylethyl)-2-propan-2-ylidenecyclohexan-1-ol is sourced from PubChem (CID 15151944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).