[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate

C22H30O2 — CID 70569331

IUPAC[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=CCC1=C(C)[C@@H](OC(=O)C2C(C=C3CCCC3)C2(C)C)CC1=C
InChIInChI=1S/C22H30O2/c1-6-9-17-14(2)12-19(15(17)3)24-21(23)20-18(22(20,4)5)13-16-10-7-8-11-16/h6,13,18-20H,1-2,7-12H2,3-5H3/t18?,19-,20?/m0/s1
InChIKeyRESUSGURJIFIKC-GPJFCIFZSA-N
MW326.48 g/mol
LogP5.52
Rot. Bonds5

About [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate

[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 70569331) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID70569331
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=CCC1=C(C)[C@@H](OC(=O)C2C(C=C3CCCC3)C2(C)C)CC1=C
InChIInChI=1S/C22H30O2/c1-6-9-17-14(2)12-19(15(17)3)24-21(23)20-18(22(20,4)5)13-16-10-7-8-11-16/h6,13,18-20H,1-2,7-12H2,3-5H3/t18?,19-,20?/m0/s1
InChIKeyRESUSGURJIFIKC-GPJFCIFZSA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-[(2-oxooxolan-3-ylidene)methyl]cyclopropane-1-carboxylate
CID 57192306
trans-[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (1R,3S)-3-[(Z)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 139904625
trans-[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (1R,3S)-3-[(E)-but-2-en-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 98957959
[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (3S)-3-[(E)-2-cyano-2-methylsulfanylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 53389368
(2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl) 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 18690105
cis-(1R,3R)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 12952597
(2,3,4,5,6-pentafluorophenyl)methyl 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88741315
[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 5371264
trans-(1R,3S)-3-(cyclobutylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 45081793
3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 21241970
[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] 2,2-dimethyl-3-[(1E)-2-methylbuta-1,3-dienyl]cyclopropane-1-carboxylate
CID 102518357
(E)-3-[2,2-dimethyl-3-[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl]oxycarbonylcyclopropyl]-2-methylprop-2-enoic acid
CID 102518358

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 70569331) is [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate is C=CCC1=C(C)[C@@H](OC(=O)C2C(C=C3CCCC3)C2(C)C)CC1=C.
What is the InChIKey of [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is RESUSGURJIFIKC-GPJFCIFZSA-N. The full InChI is InChI=1S/C22H30O2/c1-6-9-17-14(2)12-19(15(17)3)24-21(23)20-18(22(20,4)5)13-16-10-7-8-11-16/h6,13,18-20H,1-2,7-12H2,3-5H3/t18?,19-,20?/m0/s1.
What are the key properties of [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate?
[(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl] 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 70569331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).