cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde

C10H16O — CID 131076653

IUPACcis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde
SMILESCC(C)=C1CC[C@@H](C)[C@@H]1C=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8,10H,4-5H2,1-3H3/t8-,10+/m1/s1
InChIKeyHYEFBISLRAHOFL-SCZZXKLOSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde

cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde (PubChem CID 131076653) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde
PubChem CID131076653
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namecis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde
SMILESCC(C)=C1CC[C@@H](C)[C@@H]1C=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8,10H,4-5H2,1-3H3/t8-,10+/m1/s1
InChIKeyHYEFBISLRAHOFL-SCZZXKLOSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
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 cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde (CID 131076653) is cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde is CC(C)=C1CC[C@@H](C)[C@@H]1C=O.
What is the InChIKey of cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde?
The InChIKey is HYEFBISLRAHOFL-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(9)6-11/h6,8,10H,4-5H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde?
cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde is sourced from PubChem (CID 131076653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).