(1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane

C18H32 — CID 123429115

IUPAC(1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane
SMILESC=C1CC[C@@](C)([C@@]2(C)CCCC2(C)C)CC(C)C1
InChIInChI=1S/C18H32/c1-14-8-11-17(5,13-15(2)12-14)18(6)10-7-9-16(18,3)4/h15H,1,7-13H2,2-6H3/t15?,17-,18+/m1/s1
InChIKeyNQYHVUZHOYGDLW-KVJCIMDZSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds1

About (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane

(1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane (PubChem CID 123429115) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane.

Molecular Properties

Compound Name(1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane
PubChem CID123429115
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane
SMILESC=C1CC[C@@](C)([C@@]2(C)CCCC2(C)C)CC(C)C1
InChIInChI=1S/C18H32/c1-14-8-11-17(5,13-15(2)12-14)18(6)10-7-9-16(18,3)4/h15H,1,7-13H2,2-6H3/t15?,17-,18+/m1/s1
InChIKeyNQYHVUZHOYGDLW-KVJCIMDZSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane?
The IUPAC name of (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane (CID 123429115) is (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane.
What is the SMILES notation for (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane?
The canonical SMILES for (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane is C=C1CC[C@@](C)([C@@]2(C)CCCC2(C)C)CC(C)C1.
What is the InChIKey of (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane?
The InChIKey is NQYHVUZHOYGDLW-KVJCIMDZSA-N. The full InChI is InChI=1S/C18H32/c1-14-8-11-17(5,13-15(2)12-14)18(6)10-7-9-16(18,3)4/h15H,1,7-13H2,2-6H3/t15?,17-,18+/m1/s1.
What are the key properties of (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane?
(1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane is sourced from PubChem (CID 123429115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).