(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol

C11H18O — CID 175761556

IUPAC(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol
SMILESCCCC1C=CC=CC1(C)CO
InChIInChI=1S/C11H18O/c1-3-6-10-7-4-5-8-11(10,2)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3
InChIKeyYGWUKBGOJKNQTM-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.53
Rot. Bonds3

About (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol

(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 175761556) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID175761556
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol
SMILESCCCC1C=CC=CC1(C)CO
InChIInChI=1S/C11H18O/c1-3-6-10-7-4-5-8-11(10,2)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3
InChIKeyYGWUKBGOJKNQTM-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
5-methyl-5-(octylsulfanylmethyl)-6-propylcyclohexa-1,3-diene
CID 175510577
[6-(hydroxymethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanol;bis(2-methylprop-2-enoic acid)
CID 175550836
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511
6-methyl-6-propylcyclohexa-2,4-dien-1-ol
CID 70425979
1-bromo-6-ethylcyclohexa-2,4-dien-1-ol
CID 174381773
2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol
CID 141411641
2-(6-chloro-6-methylcyclohexa-2,4-dien-1-yl)ethanamine
CID 70494698
bis(1,6-dipropylcyclohexa-2,4-dien-1-yl) bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 142748199
[(1R,6R)-6-chloro-6-methoxycyclohexa-2,4-dien-1-yl]methanol
CID 97304763
[(1S,6S)-6-chloro-6-methoxycyclohexa-2,4-dien-1-yl]methanol
CID 97304764
5-(chloromethyl)-5,6-dimethylcyclohexa-1,3-diene
CID 141115127

Frequently Asked Questions

What is the IUPAC name of (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol (CID 175761556) is (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol is CCCC1C=CC=CC1(C)CO.
What is the InChIKey of (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is YGWUKBGOJKNQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-6-10-7-4-5-8-11(10,2)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3.
What are the key properties of (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol?
(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 166.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 175761556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).