(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde

C16H28O — CID 91581522

IUPAC(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde
SMILESCC(C)[C@H]1CC[C@@H](C)CC=C(C=O)[C@H](C)CC1
InChIInChI=1S/C16H28O/c1-12(2)15-8-5-13(3)6-9-16(11-17)14(4)7-10-15/h9,11-15H,5-8,10H2,1-4H3/t13-,14-,15+/m1/s1
InChIKeyKYIACHGQNGGKIF-KFWWJZLASA-N
MW236.40 g/mol
LogP4.62
Rot. Bonds2

About (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde

(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde (PubChem CID 91581522) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde.

Molecular Properties

Compound Name(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde
PubChem CID91581522
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde
SMILESCC(C)[C@H]1CC[C@@H](C)CC=C(C=O)[C@H](C)CC1
InChIInChI=1S/C16H28O/c1-12(2)15-8-5-13(3)6-9-16(11-17)14(4)7-10-15/h9,11-15H,5-8,10H2,1-4H3/t13-,14-,15+/m1/s1
InChIKeyKYIACHGQNGGKIF-KFWWJZLASA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde with MolForge

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Related Compounds

(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
CID 121473261
(5S)-5-methylcyclopentene-1-carbaldehyde
CID 101259456
6-hydroxy-4-methylcyclohexene-1-carbaldehyde
CID 73020671
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1,4,7-trimethylcycloheptene
CID 123852722
formohydrazide;1-methyl-4-propan-2-ylcyclohexane
CID 175318505
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
CID 88943328
(2S,6R,9S)-2,6-dimethyl-9-propan-2-ylcyclodec-3-en-1-one
CID 91477618
(4aR,7R,8aS)-4a-methyl-4-oxo-7-propan-2-yl-3,5,6,7,8,8a-hexahydronaphthalene-1-carbaldehyde
CID 162908835
3-methyl-6-propan-2-ylazepane-1-carbaldehyde
CID 174874844
isocyanic acid;1-methyl-4-propan-2-ylcyclohexane
CID 88721765

Frequently Asked Questions

What is the IUPAC name of (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde?
The IUPAC name of (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde (CID 91581522) is (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde.
What is the SMILES notation for (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde?
The canonical SMILES for (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde is CC(C)[C@H]1CC[C@@H](C)CC=C(C=O)[C@H](C)CC1.
What is the InChIKey of (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde?
The InChIKey is KYIACHGQNGGKIF-KFWWJZLASA-N. The full InChI is InChI=1S/C16H28O/c1-12(2)15-8-5-13(3)6-9-16(11-17)14(4)7-10-15/h9,11-15H,5-8,10H2,1-4H3/t13-,14-,15+/m1/s1.
What are the key properties of (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde?
(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde has a molecular weight of 236.40 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde is sourced from PubChem (CID 91581522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).