(5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol

C10H16O2 — CID 67254140

IUPAC(5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol
SMILESCCC1=C(OC)CC=C(CO)C1
InChIInChI=1S/C10H16O2/c1-3-9-6-8(7-11)4-5-10(9)12-2/h4,11H,3,5-7H2,1-2H3
InChIKeyZWBIGTBFQOWAIV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.01
Rot. Bonds3

About (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol

(5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol (PubChem CID 67254140) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol
PubChem CID67254140
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol
SMILESCCC1=C(OC)CC=C(CO)C1
InChIInChI=1S/C10H16O2/c1-3-9-6-8(7-11)4-5-10(9)12-2/h4,11H,3,5-7H2,1-2H3
InChIKeyZWBIGTBFQOWAIV-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol?
The IUPAC name of (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol (CID 67254140) is (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol.
What is the SMILES notation for (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol?
The canonical SMILES for (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol is CCC1=C(OC)CC=C(CO)C1.
What is the InChIKey of (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol?
The InChIKey is ZWBIGTBFQOWAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9-6-8(7-11)4-5-10(9)12-2/h4,11H,3,5-7H2,1-2H3.
What are the key properties of (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol?
(5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methoxycyclohexa-1,4-dien-1-yl)methanol is sourced from PubChem (CID 67254140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).