2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde

C14H22O — CID 174584463

IUPAC2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde
SMILESC=C=C(CCCC(C)C)C1(C)CC1C=O
InChIInChI=1S/C14H22O/c1-5-12(8-6-7-11(2)3)14(4)9-13(14)10-15/h10-11,13H,1,6-9H2,2-4H3
InChIKeyBHCFNPRKSMXMPB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.75
Rot. Bonds6

About 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde

2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde (PubChem CID 174584463) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde
PubChem CID174584463
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde
SMILESC=C=C(CCCC(C)C)C1(C)CC1C=O
InChIInChI=1S/C14H22O/c1-5-12(8-6-7-11(2)3)14(4)9-13(14)10-15/h10-11,13H,1,6-9H2,2-4H3
InChIKeyBHCFNPRKSMXMPB-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde (CID 174584463) is 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde is C=C=C(CCCC(C)C)C1(C)CC1C=O.
What is the InChIKey of 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde?
The InChIKey is BHCFNPRKSMXMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-12(8-6-7-11(2)3)14(4)9-13(14)10-15/h10-11,13H,1,6-9H2,2-4H3.
What are the key properties of 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde?
2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde has a molecular weight of 206.33 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 174584463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).