(4-methylcyclohexyl) 2-methylhept-2-enoate

C15H26O2 — CID 174863490

IUPAC(4-methylcyclohexyl) 2-methylhept-2-enoate
SMILESCCCCC=C(C)C(=O)OC1CCC(C)CC1
InChIInChI=1S/C15H26O2/c1-4-5-6-7-13(3)15(16)17-14-10-8-12(2)9-11-14/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyLGBKBSWEXTUOER-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds5

About (4-methylcyclohexyl) 2-methylhept-2-enoate

(4-methylcyclohexyl) 2-methylhept-2-enoate (PubChem CID 174863490) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2-methylhept-2-enoate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2-methylhept-2-enoate
PubChem CID174863490
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4-methylcyclohexyl) 2-methylhept-2-enoate
SMILESCCCCC=C(C)C(=O)OC1CCC(C)CC1
InChIInChI=1S/C15H26O2/c1-4-5-6-7-13(3)15(16)17-14-10-8-12(2)9-11-14/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyLGBKBSWEXTUOER-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-methylhept-2-enoate
CID 13122847
phosphanyl 2-methylhept-2-enoate
CID 174654525
CID 177343190
CID 177343190
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
propyl (E)-2-methylhept-2-enoate
CID 13122849
2-methylbut-2-enoyl 2-methylhept-2-enoate
CID 173170263
methylamino 2-methylhept-2-enoate
CID 174825179
cyclohexyl 5-amino-2-methylpent-2-enoate
CID 67259044
methyl 2-methyloct-2-enoate
CID 71403822
(2-oxo-1,3-dioxolan-4-yl) 2-methylhept-2-enoate
CID 175124865
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
nonyl 2-methylnon-2-enoate
CID 175301846

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2-methylhept-2-enoate?
The IUPAC name of (4-methylcyclohexyl) 2-methylhept-2-enoate (CID 174863490) is (4-methylcyclohexyl) 2-methylhept-2-enoate.
What is the SMILES notation for (4-methylcyclohexyl) 2-methylhept-2-enoate?
The canonical SMILES for (4-methylcyclohexyl) 2-methylhept-2-enoate is CCCCC=C(C)C(=O)OC1CCC(C)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2-methylhept-2-enoate?
The InChIKey is LGBKBSWEXTUOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-7-13(3)15(16)17-14-10-8-12(2)9-11-14/h7,12,14H,4-6,8-11H2,1-3H3.
What are the key properties of (4-methylcyclohexyl) 2-methylhept-2-enoate?
(4-methylcyclohexyl) 2-methylhept-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 2-methylhept-2-enoate is sourced from PubChem (CID 174863490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).