(3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid

C15H26O2 — CID 146684164

IUPAC(3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid
SMILESC=C1CCCC(C)(C)[C@H]1CC[C@@H](C)CC(=O)O
InChIInChI=1S/C15H26O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h11,13H,2,5-10H2,1,3-4H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyHOHBPQJOCNDYKZ-YPMHNXCESA-N
MW238.37 g/mol
LogP4.26
Rot. Bonds5

About (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid

(3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid (PubChem CID 146684164) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid.

Molecular Properties

Compound Name(3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid
PubChem CID146684164
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid
SMILESC=C1CCCC(C)(C)[C@H]1CC[C@@H](C)CC(=O)O
InChIInChI=1S/C15H26O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h11,13H,2,5-10H2,1,3-4H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyHOHBPQJOCNDYKZ-YPMHNXCESA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.26
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 (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid?
The IUPAC name of (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid (CID 146684164) is (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid.
What is the SMILES notation for (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid?
The canonical SMILES for (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid is C=C1CCCC(C)(C)[C@H]1CC[C@@H](C)CC(=O)O.
What is the InChIKey of (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid?
The InChIKey is HOHBPQJOCNDYKZ-YPMHNXCESA-N. The full InChI is InChI=1S/C15H26O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h11,13H,2,5-10H2,1,3-4H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid?
(3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid is sourced from PubChem (CID 146684164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).