6-butyl-6-methoxycyclohexa-2,4-dien-1-ol

C11H18O2 — CID 67914629

IUPAC6-butyl-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCCCCC1(OC)C=CC=CC1O
InChIInChI=1S/C11H18O2/c1-3-4-8-11(13-2)9-6-5-7-10(11)12/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKeyOPGGTLWLRVLSRA-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds4

About 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol

6-butyl-6-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 67914629) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-butyl-6-methoxycyclohexa-2,4-dien-1-ol
PubChem CID67914629
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-butyl-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCCCCC1(OC)C=CC=CC1O
InChIInChI=1S/C11H18O2/c1-3-4-8-11(13-2)9-6-5-7-10(11)12/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKeyOPGGTLWLRVLSRA-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol (CID 67914629) is 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol is CCCCC1(OC)C=CC=CC1O.
What is the InChIKey of 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is OPGGTLWLRVLSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-8-11(13-2)9-6-5-7-10(11)12/h5-7,9-10,12H,3-4,8H2,1-2H3.
What are the key properties of 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol?
6-butyl-6-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-6-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67914629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).