9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C18H30 — CID 59963525

IUPAC9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESC=C(CC)CC1C2CCCCC2C2CCCCC21
InChIInChI=1S/C18H30/c1-3-13(2)12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h14-18H,2-12H2,1H3
InChIKeyZCRGLJUOYSUQKU-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.59
Rot. Bonds3

About 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 59963525) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID59963525
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESC=C(CC)CC1C2CCCCC2C2CCCCC21
InChIInChI=1S/C18H30/c1-3-13(2)12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h14-18H,2-12H2,1H3
InChIKeyZCRGLJUOYSUQKU-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylidenebutyl)cyclohexan-1-amine
CID 66039279
2-(2-methylidenebutyl)bicyclo[2.1.0]pentane
CID 123554631
9-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 59963526
2-(2-methylidenebutyl)cyclopentan-1-one
CID 66046925
1-cyclopentyl-3-methylidenepentan-1-ol
CID 66045289
N-(2-methylidenebutyl)cycloheptanamine
CID 66045688
N-ethyl-2-(2-methylidenebutyl)cyclopentan-1-amine
CID 66036883
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
CID 81026046
[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol
CID 130650941
[(1S,8R)-9-bicyclo[6.1.0]nonanyl]methanol
CID 130621162
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840
3-methylidenepentane;hydrate
CID 162329688

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 59963525) is 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is C=C(CC)CC1C2CCCCC2C2CCCCC21.
What is the InChIKey of 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is ZCRGLJUOYSUQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-3-13(2)12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h14-18H,2-12H2,1H3.
What are the key properties of 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 246.44 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylidenebutyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 59963525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).