buta-1,2,3-trienylcyclohexane

C10H14 — CID 148919401

IUPACbuta-1,2,3-trienylcyclohexane
SMILESC=C=C=CC1CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h7,10H,1,4-6,8-9H2
InChIKeyBSDSAXHIDUGPNJ-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.06
Rot. Bonds1

About buta-1,2,3-trienylcyclohexane

buta-1,2,3-trienylcyclohexane (PubChem CID 148919401) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is buta-1,2,3-trienylcyclohexane.

Molecular Properties

Compound Namebuta-1,2,3-trienylcyclohexane
PubChem CID148919401
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namebuta-1,2,3-trienylcyclohexane
SMILESC=C=C=CC1CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h7,10H,1,4-6,8-9H2
InChIKeyBSDSAXHIDUGPNJ-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Vinylcyclohexane
CID 12757
Allylcyclohexane
CID 75027
Cyclohexylallene
CID 21873
1-Methyl-4-methylidenecyclohexane
CID 520363
1-Methyl-2-methylenecyclohexane
CID 137725
5-Cyclohexyl-1-pentene
CID 523968
1-Methyl-3-methylidenecyclohexane
CID 15577594
But-3-enylcyclohexane
CID 523967
Cyclohexane, (2,2-dibromoethenyl)-
CID 11821588
(1S)-1-methyl-2-methylidenecyclohexane
CID 92176603
Methylene-3-vinylcyclohexane
CID 146681743
1,2,2-Trideuterioethenylcyclohexane
CID 154709689

Frequently Asked Questions

What is the IUPAC name of buta-1,2,3-trienylcyclohexane?
The IUPAC name of buta-1,2,3-trienylcyclohexane (CID 148919401) is buta-1,2,3-trienylcyclohexane.
What is the SMILES notation for buta-1,2,3-trienylcyclohexane?
The canonical SMILES for buta-1,2,3-trienylcyclohexane is C=C=C=CC1CCCCC1.
What is the InChIKey of buta-1,2,3-trienylcyclohexane?
The InChIKey is BSDSAXHIDUGPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h7,10H,1,4-6,8-9H2.
What are the key properties of buta-1,2,3-trienylcyclohexane?
buta-1,2,3-trienylcyclohexane has a molecular weight of 134.22 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,2,3-trienylcyclohexane is sourced from PubChem (CID 148919401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).