[4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol

C18H30O2 — CID 143562353

IUPAC[4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESC=C(CC)OCCCCCCCC1=CC=C(CO)CC1
InChIInChI=1S/C18H30O2/c1-3-16(2)20-14-8-6-4-5-7-9-17-10-12-18(15-19)13-11-17/h10,12,19H,2-9,11,13-15H2,1H3
InChIKeyAYRXAJNSPXJRJY-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.91
Rot. Bonds11

About [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol

[4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 143562353) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID143562353
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name[4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESC=C(CC)OCCCCCCCC1=CC=C(CO)CC1
InChIInChI=1S/C18H30O2/c1-3-16(2)20-14-8-6-4-5-7-9-17-10-12-18(15-19)13-11-17/h10,12,19H,2-9,11,13-15H2,1H3
InChIKeyAYRXAJNSPXJRJY-UHFFFAOYSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol (CID 143562353) is [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol is C=C(CC)OCCCCCCCC1=CC=C(CO)CC1.
What is the InChIKey of [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is AYRXAJNSPXJRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-16(2)20-14-8-6-4-5-7-9-17-10-12-18(15-19)13-11-17/h10,12,19H,2-9,11,13-15H2,1H3.
What are the key properties of [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol?
[4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 278.44 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 143562353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).