(3S)-3-ethyl-1-phenylcycloheptene

C15H20 — CID 11194995

IUPAC(3S)-3-ethyl-1-phenylcycloheptene
SMILESCC[C@@H]1C=C(c2ccccc2)CCCC1
InChIInChI=1S/C15H20/c1-2-13-8-6-7-11-15(12-13)14-9-4-3-5-10-14/h3-5,9-10,12-13H,2,6-8,11H2,1H3/t13-/m0/s1
InChIKeyWQRRNUSDSFTNMV-ZDUSSCGKSA-N
MW200.33 g/mol
LogP4.67
Rot. Bonds2

About (3S)-3-ethyl-1-phenylcycloheptene

(3S)-3-ethyl-1-phenylcycloheptene (PubChem CID 11194995) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S)-3-ethyl-1-phenylcycloheptene.

Molecular Properties

Compound Name(3S)-3-ethyl-1-phenylcycloheptene
PubChem CID11194995
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name(3S)-3-ethyl-1-phenylcycloheptene
SMILESCC[C@@H]1C=C(c2ccccc2)CCCC1
InChIInChI=1S/C15H20/c1-2-13-8-6-7-11-15(12-13)14-9-4-3-5-10-14/h3-5,9-10,12-13H,2,6-8,11H2,1H3/t13-/m0/s1
InChIKeyWQRRNUSDSFTNMV-ZDUSSCGKSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-phenylcyclohex-2-en-1-yl)methanamine
CID 24807391
3-phenylcyclohept-2-en-1-ol
CID 15145996
(1S)-3-phenylcyclohept-2-en-1-ol
CID 154717661
(1R)-3-phenylcyclohept-2-en-1-ol
CID 154716148
trimethyl-[(1R)-3-phenylcyclohex-2-en-1-yl]silane
CID 99771377
(3-methoxycyclohexen-1-yl)benzene
CID 24976812
3-chloro-1-(3-ethylphenyl)cycloheptene
CID 107384098
benzene-1,2-diamine;6-ethyl-9-methyl-2,3,4,6,7,8-hexahydro-1H-cyclohepta[b]pyridine
CID 143209396
(3S)-3-ethylcyclohexene-1-carboxylic acid
CID 159993912
methyl-(3-phenylcyclopent-2-en-1-yl)phosphane
CID 175359015
1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15294407
6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene
CID 14691568

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-phenylcycloheptene?
The IUPAC name of (3S)-3-ethyl-1-phenylcycloheptene (CID 11194995) is (3S)-3-ethyl-1-phenylcycloheptene.
What is the SMILES notation for (3S)-3-ethyl-1-phenylcycloheptene?
The canonical SMILES for (3S)-3-ethyl-1-phenylcycloheptene is CC[C@@H]1C=C(c2ccccc2)CCCC1.
What is the InChIKey of (3S)-3-ethyl-1-phenylcycloheptene?
The InChIKey is WQRRNUSDSFTNMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20/c1-2-13-8-6-7-11-15(12-13)14-9-4-3-5-10-14/h3-5,9-10,12-13H,2,6-8,11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-phenylcycloheptene?
(3S)-3-ethyl-1-phenylcycloheptene has a molecular weight of 200.33 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-phenylcycloheptene is sourced from PubChem (CID 11194995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).