trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde

C10H16O — CID 6432223

IUPACtrans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde
SMILESCC(C)=C[C@@H]1[C@@H](C=O)C1(C)C
InChIInChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m1/s1
InChIKeyNQLKPDBZZUIQGM-RKDXNWHRSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds2

About trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde

trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde (PubChem CID 6432223) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde
PubChem CID6432223
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Nametrans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde
SMILESCC(C)=C[C@@H]1[C@@H](C=O)C1(C)C
InChIInChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m1/s1
InChIKeyNQLKPDBZZUIQGM-RKDXNWHRSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde (CID 6432223) is trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde is CC(C)=C[C@@H]1[C@@H](C=O)C1(C)C.
What is the InChIKey of trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde?
The InChIKey is NQLKPDBZZUIQGM-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde?
trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 6432223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).