(1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane

C17H24O — CID 10966767

IUPAC(1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane
SMILESCC1(C)CC(OCc2ccccc2)[C@@H]2C[C@]2(C)C1
InChIInChI=1S/C17H24O/c1-16(2)10-15(14-9-17(14,3)12-16)18-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15?,17+/m0/s1
InChIKeyPBYSCMBBNQUBJE-XJIUDMAQSA-N
MW244.38 g/mol
LogP4.42
Rot. Bonds3

About (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane

(1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane (PubChem CID 10966767) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane
PubChem CID10966767
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane
SMILESCC1(C)CC(OCc2ccccc2)[C@@H]2C[C@]2(C)C1
InChIInChI=1S/C17H24O/c1-16(2)10-15(14-9-17(14,3)12-16)18-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15?,17+/m0/s1
InChIKeyPBYSCMBBNQUBJE-XJIUDMAQSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 71500285
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
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CID 163224715
(2-methylcyclobutyl)oxymethylbenzene
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CID 145031681
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
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CID 121352123

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane (CID 10966767) is (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane is CC1(C)CC(OCc2ccccc2)[C@@H]2C[C@]2(C)C1.
What is the InChIKey of (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane?
The InChIKey is PBYSCMBBNQUBJE-XJIUDMAQSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2)10-15(14-9-17(14,3)12-16)18-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15?,17+/m0/s1.
What are the key properties of (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane?
(1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane has a molecular weight of 244.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane is sourced from PubChem (CID 10966767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).