(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde

C14H24O — CID 18603493

IUPAC(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
SMILESCCC[C@H]1CCC2C[C@H](C=O)CC[C@@H]2C1
InChIInChI=1S/C14H24O/c1-2-3-11-4-6-14-9-12(10-15)5-7-13(14)8-11/h10-14H,2-9H2,1H3/t11-,12+,13+,14?/m0/s1
InChIKeyFNPRJWADDYEWRD-OANWKOAXSA-N
MW208.34 g/mol
LogP3.82
Rot. Bonds3

About (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde

(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde (PubChem CID 18603493) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
PubChem CID18603493
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
SMILESCCC[C@H]1CCC2C[C@H](C=O)CC[C@@H]2C1
InChIInChI=1S/C14H24O/c1-2-3-11-4-6-14-9-12(10-15)5-7-13(14)8-11/h10-14H,2-9H2,1H3/t11-,12+,13+,14?/m0/s1
InChIKeyFNPRJWADDYEWRD-OANWKOAXSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.82
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 (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The IUPAC name of (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde (CID 18603493) is (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The canonical SMILES for (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde is CCC[C@H]1CCC2C[C@H](C=O)CC[C@@H]2C1.
What is the InChIKey of (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
The InChIKey is FNPRJWADDYEWRD-OANWKOAXSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-11-4-6-14-9-12(10-15)5-7-13(14)8-11/h10-14H,2-9H2,1H3/t11-,12+,13+,14?/m0/s1.
What are the key properties of (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde?
(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde has a molecular weight of 208.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 18603493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).