(1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane

C18H26 — CID 160840078

IUPAC(1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane
SMILESCC1(CCCc2ccccc2)C[C@@H]2[C@H](C1)C2(C)C
InChIInChI=1S/C18H26/c1-17(2)15-12-18(3,13-16(15)17)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16+,18?
InChIKeySHXJOCYXWHUMDE-BYICEURKSA-N
MW242.41 g/mol
LogP5.08
Rot. Bonds4

About (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane

(1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane (PubChem CID 160840078) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane
PubChem CID160840078
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name(1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane
SMILESCC1(CCCc2ccccc2)C[C@@H]2[C@H](C1)C2(C)C
InChIInChI=1S/C18H26/c1-17(2)15-12-18(3,13-16(15)17)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16+,18?
InChIKeySHXJOCYXWHUMDE-BYICEURKSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
[2-methyl-1-(3-phenylpropyl)cyclopropyl]methanol
CID 20672612
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
4-phenylbutylbenzene
CID 141301927
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine
CID 64513874
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
2,2-dimethyl-5-phenyl-5-(3-phenylpropyl)oxolane
CID 166443548
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane (CID 160840078) is (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane is CC1(CCCc2ccccc2)C[C@@H]2[C@H](C1)C2(C)C.
What is the InChIKey of (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane?
The InChIKey is SHXJOCYXWHUMDE-BYICEURKSA-N. The full InChI is InChI=1S/C18H26/c1-17(2)15-12-18(3,13-16(15)17)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16+,18?.
What are the key properties of (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane?
(1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane has a molecular weight of 242.41 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3,6,6-trimethyl-3-(3-phenylpropyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 160840078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).