5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol

C14H24O — CID 142281390

IUPAC5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol
SMILESCCC1=CC=C(C(C)CCC(C)O)CC1
InChIInChI=1S/C14H24O/c1-4-13-7-9-14(10-8-13)11(2)5-6-12(3)15/h7,9,11-12,15H,4-6,8,10H2,1-3H3
InChIKeyPZNNXBMGQBGZEX-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds5

About 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol

5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol (PubChem CID 142281390) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol.

Molecular Properties

Compound Name5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol
PubChem CID142281390
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol
SMILESCCC1=CC=C(C(C)CCC(C)O)CC1
InChIInChI=1S/C14H24O/c1-4-13-7-9-14(10-8-13)11(2)5-6-12(3)15/h7,9,11-12,15H,4-6,8,10H2,1-3H3
InChIKeyPZNNXBMGQBGZEX-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol?
The IUPAC name of 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol (CID 142281390) is 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol.
What is the SMILES notation for 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol?
The canonical SMILES for 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol is CCC1=CC=C(C(C)CCC(C)O)CC1.
What is the InChIKey of 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol?
The InChIKey is PZNNXBMGQBGZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-13-7-9-14(10-8-13)11(2)5-6-12(3)15/h7,9,11-12,15H,4-6,8,10H2,1-3H3.
What are the key properties of 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol?
5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol is sourced from PubChem (CID 142281390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).