(6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde

C15H24O3 — CID 53473167

IUPAC(6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde
SMILESCC1(C)CCC=C(C=O)[C@@H]1CCCC1OCCO1
InChIInChI=1S/C15H24O3/c1-15(2)8-4-5-12(11-16)13(15)6-3-7-14-17-9-10-18-14/h5,11,13-14H,3-4,6-10H2,1-2H3/t13-/m0/s1
InChIKeyBTLHOVXADRQYEY-ZDUSSCGKSA-N
MW252.35 g/mol
LogP3.09
Rot. Bonds5

About (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde

(6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde (PubChem CID 53473167) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde
PubChem CID53473167
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde
SMILESCC1(C)CCC=C(C=O)[C@@H]1CCCC1OCCO1
InChIInChI=1S/C15H24O3/c1-15(2)8-4-5-12(11-16)13(15)6-3-7-14-17-9-10-18-14/h5,11,13-14H,3-4,6-10H2,1-2H3/t13-/m0/s1
InChIKeyBTLHOVXADRQYEY-ZDUSSCGKSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde?
The IUPAC name of (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde (CID 53473167) is (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde is CC1(C)CCC=C(C=O)[C@@H]1CCCC1OCCO1.
What is the InChIKey of (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde?
The InChIKey is BTLHOVXADRQYEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24O3/c1-15(2)8-4-5-12(11-16)13(15)6-3-7-14-17-9-10-18-14/h5,11,13-14H,3-4,6-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde?
(6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde has a molecular weight of 252.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 53473167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).