1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol

C17H32O2 — CID 90385119

IUPAC1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol
SMILESCCCCC(CC)C1=C(C(C)O)CC(C(C)O)CC1
InChIInChI=1S/C17H32O2/c1-5-7-8-14(6-2)16-10-9-15(12(3)18)11-17(16)13(4)19/h12-15,18-19H,5-11H2,1-4H3
InChIKeyYGVZFOFMFRDIEH-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.06
Rot. Bonds7

About 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol

1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol (PubChem CID 90385119) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol
PubChem CID90385119
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol
SMILESCCCCC(CC)C1=C(C(C)O)CC(C(C)O)CC1
InChIInChI=1S/C17H32O2/c1-5-7-8-14(6-2)16-10-9-15(12(3)18)11-17(16)13(4)19/h12-15,18-19H,5-11H2,1-4H3
InChIKeyYGVZFOFMFRDIEH-UHFFFAOYSA-N
XLogP4.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol with MolForge

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Related Compounds

3-(1-hydroxyethyl)cyclopentan-1-one
CID 76687141
1-cyclopropylpentan-1-ol
CID 551238
4-heptan-3-yl-5-propan-2-yl-1,3-dioxole
CID 170312233
hexan-2-ol;zirconium
CID 174835617
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475
1-cyclopropyl-3-ethylheptan-2-ol
CID 115804014
formic acid;3-(1-hydroxyethyl)cyclopentan-1-one
CID 174506059
1-heptan-3-yl-7-nonan-5-yl-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine
CID 167260414
1-(4,5,6,7,8,9-hexahydro-1H-benzo[7]annulen-7-yl)pentan-1-amine
CID 22758134
1-(1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-ol
CID 65410598
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705

Frequently Asked Questions

What is the IUPAC name of 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol (CID 90385119) is 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol is CCCCC(CC)C1=C(C(C)O)CC(C(C)O)CC1.
What is the InChIKey of 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol?
The InChIKey is YGVZFOFMFRDIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-5-7-8-14(6-2)16-10-9-15(12(3)18)11-17(16)13(4)19/h12-15,18-19H,5-11H2,1-4H3.
What are the key properties of 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol?
1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol has a molecular weight of 268.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-heptan-3-yl-3-(1-hydroxyethyl)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 90385119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).