(6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]

C24H42 — CID 163435707

IUPAC(6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]
SMILESCCCC[C@H]1C(CC)C1C1C(C)C2(CC2C)[C@H]2CC2C1(CC)CC
InChIInChI=1S/C24H42/c1-7-11-12-18-17(8-2)21(18)22-16(6)24(14-15(24)5)20-13-19(20)23(22,9-3)10-4/h15-22H,7-14H2,1-6H3/t15?,16?,17?,18-,19?,20-,21?,22?,24?/m0/s1
InChIKeyAUHVCWGAKWDEMR-IUIQGVTJSA-N
MW330.60 g/mol
LogP7.18
Rot. Bonds7

About (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]

(6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane] (PubChem CID 163435707) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane].

Molecular Properties

Compound Name(6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]
PubChem CID163435707
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name(6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]
SMILESCCCC[C@H]1C(CC)C1C1C(C)C2(CC2C)[C@H]2CC2C1(CC)CC
InChIInChI=1S/C24H42/c1-7-11-12-18-17(8-2)21(18)22-16(6)24(14-15(24)5)20-13-19(20)23(22,9-3)10-4/h15-22H,7-14H2,1-6H3/t15?,16?,17?,18-,19?,20-,21?,22?,24?/m0/s1
InChIKeyAUHVCWGAKWDEMR-IUIQGVTJSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]?
The IUPAC name of (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane] (CID 163435707) is (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane].
What is the SMILES notation for (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]?
The canonical SMILES for (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane] is CCCC[C@H]1C(CC)C1C1C(C)C2(CC2C)[C@H]2CC2C1(CC)CC.
What is the InChIKey of (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]?
The InChIKey is AUHVCWGAKWDEMR-IUIQGVTJSA-N. The full InChI is InChI=1S/C24H42/c1-7-11-12-18-17(8-2)21(18)22-16(6)24(14-15(24)5)20-13-19(20)23(22,9-3)10-4/h15-22H,7-14H2,1-6H3/t15?,16?,17?,18-,19?,20-,21?,22?,24?/m0/s1.
What are the key properties of (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane]?
(6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane] has a molecular weight of 330.60 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-[(2S)-2-butyl-3-ethylcyclopropyl]-2,2-diethyl-2',4-dimethylspiro[bicyclo[4.1.0]heptane-5,1'-cyclopropane] is sourced from PubChem (CID 163435707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).