1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol

C18H32O3 — CID 11243425

IUPAC1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol
SMILESC=C(CC1(O)CCCCC1)C1(C(C)C)OCC(C)(C)CO1
InChIInChI=1S/C18H32O3/c1-14(2)18(20-12-16(4,5)13-21-18)15(3)11-17(19)9-7-6-8-10-17/h14,19H,3,6-13H2,1-2,4-5H3
InChIKeyVLAOWVCTHQNMDX-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol

1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol (PubChem CID 11243425) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol
PubChem CID11243425
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol
SMILESC=C(CC1(O)CCCCC1)C1(C(C)C)OCC(C)(C)CO1
InChIInChI=1S/C18H32O3/c1-14(2)18(20-12-16(4,5)13-21-18)15(3)11-17(19)9-7-6-8-10-17/h14,19H,3,6-13H2,1-2,4-5H3
InChIKeyVLAOWVCTHQNMDX-UHFFFAOYSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol (CID 11243425) is 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol is C=C(CC1(O)CCCCC1)C1(C(C)C)OCC(C)(C)CO1.
What is the InChIKey of 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol?
The InChIKey is VLAOWVCTHQNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-14(2)18(20-12-16(4,5)13-21-18)15(3)11-17(19)9-7-6-8-10-17/h14,19H,3,6-13H2,1-2,4-5H3.
What are the key properties of 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol?
1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol has a molecular weight of 296.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,5-dimethyl-2-propan-2-yl-1,3-dioxan-2-yl)prop-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 11243425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).