(1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde

C18H24O2 — CID 54223811

IUPAC(1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde
SMILESC=CC[C@@H]1c2c(cccc2OC)CC[C@]1(C=O)CCC
InChIInChI=1S/C18H24O2/c1-4-7-15-17-14(8-6-9-16(17)20-3)10-12-18(15,13-19)11-5-2/h4,6,8-9,13,15H,1,5,7,10-12H2,2-3H3/t15-,18+/m1/s1
InChIKeyQELNLRZSHPLRRH-QAPCUYQASA-N
MW272.39 g/mol
LogP4.29
Rot. Bonds6

About (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde

(1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde (PubChem CID 54223811) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde
PubChem CID54223811
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde
SMILESC=CC[C@@H]1c2c(cccc2OC)CC[C@]1(C=O)CCC
InChIInChI=1S/C18H24O2/c1-4-7-15-17-14(8-6-9-16(17)20-3)10-12-18(15,13-19)11-5-2/h4,6,8-9,13,15H,1,5,7,10-12H2,2-3H3/t15-,18+/m1/s1
InChIKeyQELNLRZSHPLRRH-QAPCUYQASA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The IUPAC name of (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde (CID 54223811) is (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde.
What is the SMILES notation for (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The canonical SMILES for (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde is C=CC[C@@H]1c2c(cccc2OC)CC[C@]1(C=O)CCC.
What is the InChIKey of (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The InChIKey is QELNLRZSHPLRRH-QAPCUYQASA-N. The full InChI is InChI=1S/C18H24O2/c1-4-7-15-17-14(8-6-9-16(17)20-3)10-12-18(15,13-19)11-5-2/h4,6,8-9,13,15H,1,5,7,10-12H2,2-3H3/t15-,18+/m1/s1.
What are the key properties of (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
(1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde has a molecular weight of 272.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-8-methoxy-1-prop-2-enyl-2-propyl-3,4-dihydro-1H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 54223811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).