1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene

C16H30O4 — CID 134346107

IUPAC1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene
SMILESC=CC.CC1CCC(C(C)C)C(O)C1.O=C1OCCO1
InChIInChI=1S/C10H20O.C3H4O3.C3H6/c1-7(2)9-5-4-8(3)6-10(9)11;4-3-5-1-2-6-3;1-3-2/h7-11H,4-6H2,1-3H3;1-2H2;3H,1H2,2H3
InChIKeyNYWVBMKSEHSCGO-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.79
Rot. Bonds1

About 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene

1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene (PubChem CID 134346107) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene.

Molecular Properties

Compound Name1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene
PubChem CID134346107
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene
SMILESC=CC.CC1CCC(C(C)C)C(O)C1.O=C1OCCO1
InChIInChI=1S/C10H20O.C3H4O3.C3H6/c1-7(2)9-5-4-8(3)6-10(9)11;4-3-5-1-2-6-3;1-3-2/h7-11H,4-6H2,1-3H3;1-2H2;3H,1H2,2H3
InChIKeyNYWVBMKSEHSCGO-UHFFFAOYSA-N
XLogP3.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene with MolForge

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Related Compounds

CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc
CID 70506302
(2E)-3,7-dimethylocta-2,6-dienal;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 87439428
dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 122703177
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
3,7-dimethylocta-1,6-dien-3-yl acetate;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22134021
methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 67919748
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide
CID 159704935

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene?
The IUPAC name of 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene (CID 134346107) is 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene.
What is the SMILES notation for 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene?
The canonical SMILES for 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene is C=CC.CC1CCC(C(C)C)C(O)C1.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene?
The InChIKey is NYWVBMKSEHSCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C3H4O3.C3H6/c1-7(2)9-5-4-8(3)6-10(9)11;4-3-5-1-2-6-3;1-3-2/h7-11H,4-6H2,1-3H3;1-2H2;3H,1H2,2H3.
What are the key properties of 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene?
1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene has a molecular weight of 286.41 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene is sourced from PubChem (CID 134346107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).