formaldehyde;3-(4-methylpent-3-enyl)cyclohexene

C13H22O — CID 175285342

IUPACformaldehyde;3-(4-methylpent-3-enyl)cyclohexene
SMILESC=O.CC(C)=CCCC1C=CCCC1
InChIInChI=1S/C12H20.CH2O/c1-11(2)7-6-10-12-8-4-3-5-9-12;1-2/h4,7-8,12H,3,5-6,9-10H2,1-2H3;1H2
InChIKeyOLRRXFNAWCHGMH-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds3

About formaldehyde;3-(4-methylpent-3-enyl)cyclohexene

formaldehyde;3-(4-methylpent-3-enyl)cyclohexene (PubChem CID 175285342) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is formaldehyde;3-(4-methylpent-3-enyl)cyclohexene.

Molecular Properties

Compound Nameformaldehyde;3-(4-methylpent-3-enyl)cyclohexene
PubChem CID175285342
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Nameformaldehyde;3-(4-methylpent-3-enyl)cyclohexene
SMILESC=O.CC(C)=CCCC1C=CCCC1
InChIInChI=1S/C12H20.CH2O/c1-11(2)7-6-10-12-8-4-3-5-9-12;1-2/h4,7-8,12H,3,5-6,9-10H2,1-2H3;1H2
InChIKeyOLRRXFNAWCHGMH-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-cyclohex-2-en-1-yl]butan-1-ol;N,N-dimethylacetamide
CID 143238683
3-(4,5-dimethylhex-5-enyl)cyclohexene
CID 142893691
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
1-[(1R)-cyclohept-2-en-1-yl]propan-2-one
CID 101360407
(3R)-3-hexylcyclohexene
CID 144775192
methyl (Z)-2-(2-cyclohex-2-en-1-ylethyl)-3-hydroxybut-2-enoate
CID 143238693
cyclohex-2-en-1-ylmethanol;phosphoric acid
CID 174366936
2-cyclohex-2-en-1-ylethyl-[2-cyclohex-2-en-1-ylethyl(dimethyl)silyl]oxy-dimethylsilane
CID 19766624
2-cyclohex-2-en-1-yl-N-iodoethanamine
CID 89307928
3-[(2S)-2,3-dimethylbutyl]cyclohexene
CID 163836569
(NE)-N-(2-cyclohex-2-en-1-ylethylidene)hydroxylamine
CID 24974434
(1Z,3Z)-3-but-3-en-2-yl-8-cyclohex-2-en-1-yl-N-methylocta-1,3-dien-1-amine
CID 143569848

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-(4-methylpent-3-enyl)cyclohexene?
The IUPAC name of formaldehyde;3-(4-methylpent-3-enyl)cyclohexene (CID 175285342) is formaldehyde;3-(4-methylpent-3-enyl)cyclohexene.
What is the SMILES notation for formaldehyde;3-(4-methylpent-3-enyl)cyclohexene?
The canonical SMILES for formaldehyde;3-(4-methylpent-3-enyl)cyclohexene is C=O.CC(C)=CCCC1C=CCCC1.
What is the InChIKey of formaldehyde;3-(4-methylpent-3-enyl)cyclohexene?
The InChIKey is OLRRXFNAWCHGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.CH2O/c1-11(2)7-6-10-12-8-4-3-5-9-12;1-2/h4,7-8,12H,3,5-6,9-10H2,1-2H3;1H2.
What are the key properties of formaldehyde;3-(4-methylpent-3-enyl)cyclohexene?
formaldehyde;3-(4-methylpent-3-enyl)cyclohexene has a molecular weight of 194.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-(4-methylpent-3-enyl)cyclohexene is sourced from PubChem (CID 175285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).