carbonic acid;cyclohex-3-en-1-ylbenzene

C13H16O3 — CID 70561702

IUPACcarbonic acid;cyclohex-3-en-1-ylbenzene
SMILESC1=CCC(c2ccccc2)CC1.O=C(O)O
InChIInChI=1S/C12H14.CH2O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h1-5,7-8,12H,6,9-10H2;(H2,2,3,4)
InChIKeyHGRXWDOOSTWTHX-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.73
Rot. Bonds1

About carbonic acid;cyclohex-3-en-1-ylbenzene

carbonic acid;cyclohex-3-en-1-ylbenzene (PubChem CID 70561702) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is carbonic acid;cyclohex-3-en-1-ylbenzene.

Molecular Properties

Compound Namecarbonic acid;cyclohex-3-en-1-ylbenzene
PubChem CID70561702
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namecarbonic acid;cyclohex-3-en-1-ylbenzene
SMILESC1=CCC(c2ccccc2)CC1.O=C(O)O
InChIInChI=1S/C12H14.CH2O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h1-5,7-8,12H,6,9-10H2;(H2,2,3,4)
InChIKeyHGRXWDOOSTWTHX-UHFFFAOYSA-N
XLogP3.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohex-3-en-1-ylphenyl)acetic acid
CID 171363878
sodium;acetic acid;cyclohex-3-en-1-ylbenzene;(3,4-diazidocyclohexyl)benzene;manganese;methane;azide;dihydrate
CID 162090549
4-cyclohex-3-en-1-ylbenzonitrile
CID 10866986
(1R,6R)-6-phenylcyclohept-2-en-1-ol
CID 101173340
(1S,6S)-6-phenylcyclohept-2-en-1-ol
CID 101173341
N'-phenylcyclohex-3-ene-1-carbohydrazide
CID 14323120
benzene;cyclopropylbenzene
CID 144638417
2-cyclohex-3-en-1-ylbenzonitrile
CID 66632923
cyclohexen-1-ylbenzene;cyclohex-2-en-1-ylbenzene;cyclohex-3-en-1-ylbenzene;ethane
CID 158943927
4-cyclopropa-1,2-dien-1-ylcyclohexene
CID 163618559
(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid
CID 14068816
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627

Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohex-3-en-1-ylbenzene?
The IUPAC name of carbonic acid;cyclohex-3-en-1-ylbenzene (CID 70561702) is carbonic acid;cyclohex-3-en-1-ylbenzene.
What is the SMILES notation for carbonic acid;cyclohex-3-en-1-ylbenzene?
The canonical SMILES for carbonic acid;cyclohex-3-en-1-ylbenzene is C1=CCC(c2ccccc2)CC1.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohex-3-en-1-ylbenzene?
The InChIKey is HGRXWDOOSTWTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.CH2O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4/h1-5,7-8,12H,6,9-10H2;(H2,2,3,4).
What are the key properties of carbonic acid;cyclohex-3-en-1-ylbenzene?
carbonic acid;cyclohex-3-en-1-ylbenzene has a molecular weight of 220.27 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohex-3-en-1-ylbenzene is sourced from PubChem (CID 70561702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).