1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene

C14H18 — CID 163751542

IUPAC1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
SMILESCC1=CCCC(CC2=CC=CCC2)=C1
InChIInChI=1S/C14H18/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyLQJZWSXWLPCFSL-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.32
Rot. Bonds2

About 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene

1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene (PubChem CID 163751542) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
PubChem CID163751542
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
SMILESCC1=CCCC(CC2=CC=CCC2)=C1
InChIInChI=1S/C14H18/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyLQJZWSXWLPCFSL-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
(3-methylcyclohexa-1,3-dien-1-yl)methanol
CID 123140542
5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 168995095
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
1-(4-methylpentyl)cyclohexa-1,3-diene
CID 19795456
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
carbon monoxide;cyclohexa-1,3-dien-1-ylmethylbenzene;iron
CID 134899552
2-[[(1Z)-5-methylcycloocta-1,3,5-trien-1-yl]methylamino]ethanol
CID 174004788
O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine
CID 142053932
[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
CID 91131453
ethane;1-methylcyclohexa-1,3-diene
CID 91025584
2,4-bis(cyclohexa-1,3-dien-1-ylmethyl)phenol
CID 130391018

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene?
The IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene (CID 163751542) is 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene is CC1=CCCC(CC2=CC=CCC2)=C1.
What is the InChIKey of 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene?
The InChIKey is LQJZWSXWLPCFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-3,6-7,10H,4-5,8-9,11H2,1H3.
What are the key properties of 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene?
1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene has a molecular weight of 186.30 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 163751542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).