cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol

C16H34O4 — CID 23190228

IUPACcyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol
SMILESC1CCCCC1.CO.CO.OCC1(CO)CC=CCC1
InChIInChI=1S/C8H14O2.C6H12.2CH4O/c9-6-8(7-10)4-2-1-3-5-8;1-2-4-6-5-3-1;2*1-2/h1-2,9-10H,3-7H2;1-6H2;2*2H,1H3
InChIKeyILZLQFKQZXPNQT-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.26
Rot. Bonds2

About cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol

cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol (PubChem CID 23190228) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol.

Molecular Properties

Compound Namecyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol
PubChem CID23190228
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Namecyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol
SMILESC1CCCCC1.CO.CO.OCC1(CO)CC=CCC1
InChIInChI=1S/C8H14O2.C6H12.2CH4O/c9-6-8(7-10)4-2-1-3-5-8;1-2-4-6-5-3-1;2*1-2/h1-2,9-10H,3-7H2;1-6H2;2*2H,1H3
InChIKeyILZLQFKQZXPNQT-UHFFFAOYSA-N
XLogP2.26
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol?
The IUPAC name of cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol (CID 23190228) is cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol.
What is the SMILES notation for cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol?
The canonical SMILES for cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol is C1CCCCC1.CO.CO.OCC1(CO)CC=CCC1.
What is the InChIKey of cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol?
The InChIKey is ILZLQFKQZXPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H12.2CH4O/c9-6-8(7-10)4-2-1-3-5-8;1-2-4-6-5-3-1;2*1-2/h1-2,9-10H,3-7H2;1-6H2;2*2H,1H3.
What are the key properties of cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol?
cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol has a molecular weight of 290.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol;methanol is sourced from PubChem (CID 23190228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).