(6-ethenyl-6-propyloxan-3-yl)methanol

C11H20O2 — CID 144500271

IUPAC(6-ethenyl-6-propyloxan-3-yl)methanol
SMILESC=CC1(CCC)CCC(CO)CO1
InChIInChI=1S/C11H20O2/c1-3-6-11(4-2)7-5-10(8-12)9-13-11/h4,10,12H,2-3,5-9H2,1H3
InChIKeyKNZDBKIIMRIGMH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds4

About (6-ethenyl-6-propyloxan-3-yl)methanol

(6-ethenyl-6-propyloxan-3-yl)methanol (PubChem CID 144500271) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (6-ethenyl-6-propyloxan-3-yl)methanol.

Molecular Properties

Compound Name(6-ethenyl-6-propyloxan-3-yl)methanol
PubChem CID144500271
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(6-ethenyl-6-propyloxan-3-yl)methanol
SMILESC=CC1(CCC)CCC(CO)CO1
InChIInChI=1S/C11H20O2/c1-3-6-11(4-2)7-5-10(8-12)9-13-11/h4,10,12H,2-3,5-9H2,1H3
InChIKeyKNZDBKIIMRIGMH-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-ethenyl-6-propyloxan-3-yl)methyl acetate
CID 144500280
buta-1,3-diene;[4-(hydroxymethyl)cyclohexyl]methanol
CID 87532739
decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol
CID 162007927
5-ethenyl-5-propyloxolan-2-one
CID 103439870
[(2S)-2-ethenyloxiran-2-yl]methanol
CID 131089361
(2R)-2-ethenyl-2-hexyloxirane
CID 154718439
(2S)-2-ethenyl-2-hexadecyloxirane
CID 11358364
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
1-ethenyl-3-ethylcyclopentan-1-ol
CID 65419295
[4-[4-(hydroxymethyl)-1-methylcyclohexyl]cyclohexyl]methanol
CID 129134790
[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899796

Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-6-propyloxan-3-yl)methanol?
The IUPAC name of (6-ethenyl-6-propyloxan-3-yl)methanol (CID 144500271) is (6-ethenyl-6-propyloxan-3-yl)methanol.
What is the SMILES notation for (6-ethenyl-6-propyloxan-3-yl)methanol?
The canonical SMILES for (6-ethenyl-6-propyloxan-3-yl)methanol is C=CC1(CCC)CCC(CO)CO1.
What is the InChIKey of (6-ethenyl-6-propyloxan-3-yl)methanol?
The InChIKey is KNZDBKIIMRIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-6-11(4-2)7-5-10(8-12)9-13-11/h4,10,12H,2-3,5-9H2,1H3.
What are the key properties of (6-ethenyl-6-propyloxan-3-yl)methanol?
(6-ethenyl-6-propyloxan-3-yl)methanol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-6-propyloxan-3-yl)methanol is sourced from PubChem (CID 144500271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).