5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene

C14H18 — CID 163985735

IUPAC5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1CC1=CCCC=C1
InChIInChI=1S/C14H18/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h3,5-10,12,14H,2,4,11H2,1H3
InChIKeyTWDIKPCAGVPCJC-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.03
Rot. Bonds2

About 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene

5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene (PubChem CID 163985735) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene
PubChem CID163985735
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1CC1=CCCC=C1
InChIInChI=1S/C14H18/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h3,5-10,12,14H,2,4,11H2,1H3
InChIKeyTWDIKPCAGVPCJC-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene?
The IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene (CID 163985735) is 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene is CC1C=CC=CC1CC1=CCCC=C1.
What is the InChIKey of 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene?
The InChIKey is TWDIKPCAGVPCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h3,5-10,12,14H,2,4,11H2,1H3.
What are the key properties of 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene?
5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene has a molecular weight of 186.30 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexa-1,5-dien-1-ylmethyl)-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 163985735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).