(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol

C13H24O — CID 57356126

IUPAC(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol
SMILESCC1(C)CCCC2C(CO)CCCC21
InChIInChI=1S/C13H24O/c1-13(2)8-4-6-11-10(9-14)5-3-7-12(11)13/h10-12,14H,3-9H2,1-2H3
InChIKeyLDUMTGZRDPRBJX-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds1

About (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol

(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol (PubChem CID 57356126) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol.

Molecular Properties

Compound Name(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol
PubChem CID57356126
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol
SMILESCC1(C)CCCC2C(CO)CCCC21
InChIInChI=1S/C13H24O/c1-13(2)8-4-6-11-10(9-14)5-3-7-12(11)13/h10-12,14H,3-9H2,1-2H3
InChIKeyLDUMTGZRDPRBJX-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol?
The IUPAC name of (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol (CID 57356126) is (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol.
What is the SMILES notation for (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol?
The canonical SMILES for (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol is CC1(C)CCCC2C(CO)CCCC21.
What is the InChIKey of (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol?
The InChIKey is LDUMTGZRDPRBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-13(2)8-4-6-11-10(9-14)5-3-7-12(11)13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol?
(5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl)methanol is sourced from PubChem (CID 57356126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).