(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde

C15H24O — CID 162391180

IUPAC(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde
SMILESC=C1CC[C@](C)(C=O)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H24O/c1-11-5-7-15(4,10-16)8-6-13-12(11)9-14(13,2)3/h10,12-13H,1,5-9H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyPGESEZMTIVWZDC-NFAWXSAZSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds1

About (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde

(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde (PubChem CID 162391180) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde.

Molecular Properties

Compound Name(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde
PubChem CID162391180
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde
SMILESC=C1CC[C@](C)(C=O)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H24O/c1-11-5-7-15(4,10-16)8-6-13-12(11)9-14(13,2)3/h10,12-13H,1,5-9H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyPGESEZMTIVWZDC-NFAWXSAZSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
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 (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde?
The IUPAC name of (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde (CID 162391180) is (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde.
What is the SMILES notation for (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde?
The canonical SMILES for (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde is C=C1CC[C@](C)(C=O)CC[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde?
The InChIKey is PGESEZMTIVWZDC-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-7-15(4,10-16)8-6-13-12(11)9-14(13,2)3/h10,12-13H,1,5-9H2,2-4H3/t12-,13-,15+/m1/s1.
What are the key properties of (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde?
(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde has a molecular weight of 220.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde is sourced from PubChem (CID 162391180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).